1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C91H123F9N12O15S3Si2 — CID 159066655

IUPAC1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)C.CCCCn1cc(CN2CCC(C(=O)NC)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)nn1.CCCCn1nncc1CN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/2C27H32F3N5O5S.C23H23F3N2O5S.2C7H18Si/c1-3-4-15-35-19-20(32-33-35)18-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-4-15-35-20(18-32-33-35)19-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-14-28-15-12-22(13-16-28,21(29)27-2)34(30,31)20-10-8-18(9-11-20)32-17-4-6-19(7-5-17)33-23(24,25)26;2*1-7(2,3)8(4,5)6/h5-12,19H,3-4,13-18H2,1-2H3,(H,31,36);5-12,18H,3-4,13-17,19H2,1-2H3,(H,31,36);1,4-11H,12-16H2,2H3,(H,27,29);2*1-6H3
InChIKeyJZDGJSGZJJOGAU-UHFFFAOYSA-N
MW1948.41 g/mol
LogP18.26
Rot. Bonds29

About 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 159066655) has the molecular formula C91H123F9N12O15S3Si2 and a molecular weight of 1948.41 g/mol. Its IUPAC name is 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID159066655
Molecular FormulaC91H123F9N12O15S3Si2
Molecular Weight1948.41 g/mol
Exact Mass1946.78
IUPAC Name1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)C.CCCCn1cc(CN2CCC(C(=O)NC)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)nn1.CCCCn1nncc1CN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/2C27H32F3N5O5S.C23H23F3N2O5S.2C7H18Si/c1-3-4-15-35-19-20(32-33-35)18-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-4-15-35-20(18-32-33-35)19-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-14-28-15-12-22(13-16-28,21(29)27-2)34(30,31)20-10-8-18(9-11-20)32-17-4-6-19(7-5-17)33-23(24,25)26;2*1-7(2,3)8(4,5)6/h5-12,19H,3-4,13-18H2,1-2H3,(H,31,36);5-12,18H,3-4,13-17,19H2,1-2H3,(H,31,36);1,4-11H,12-16H2,2H3,(H,27,29);2*1-6H3
InChIKeyJZDGJSGZJJOGAU-UHFFFAOYSA-N
XLogP18.26
TPSA316.24 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.41
LogP ≤ 518.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492
N-(methylcarbamoyl)-8-propyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118233731
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide
CID 22485255
4-[4-(3,4-dimethoxyphenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide;hydrochloride
CID 131723836
4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid;hydrochloride
CID 11719052
1-carbamothioyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 142028448
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
N-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 54140818
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707809
1-[3,6-diamino-5-(pyrrolidine-1-carbonyl)pyrazine-2-carbonyl]-N-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 89467461
ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate;hydrochloride
CID 46938824
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172742819

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 159066655) is 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)C.CCCCn1cc(CN2CCC(C(=O)NC)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)nn1.CCCCn1nncc1CN1CCC(C(=O)NC)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is JZDGJSGZJJOGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32F3N5O5S.C23H23F3N2O5S.2C7H18Si/c1-3-4-15-35-19-20(32-33-35)18-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-4-15-35-20(18-32-33-35)19-34-16-13-26(14-17-34,25(36)31-2)41(37,38)24-11-9-22(10-12-24)39-21-5-7-23(8-6-21)40-27(28,29)30;1-3-14-28-15-12-22(13-16-28,21(29)27-2)34(30,31)20-10-8-18(9-11-20)32-17-4-6-19(7-5-17)33-23(24,25)26;2*1-7(2,3)8(4,5)6/h5-12,19H,3-4,13-18H2,1-2H3,(H,31,36);5-12,18H,3-4,13-17,19H2,1-2H3,(H,31,36);1,4-11H,12-16H2,2H3,(H,27,29);2*1-6H3.
What are the key properties of 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 1948.41 g/mol, XLogP of 18.26, 29 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;1-[(3-butyltriazol-4-yl)methyl]-N-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;bis(tert-butyl(trimethyl)silane);N-methyl-1-prop-2-ynyl-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 159066655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).