1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

C24H32N2O4S — CID 78852985

IUPAC1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC(C)C)cc2)(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-14-24(15-17-26,21-8-6-5-7-9-21)23(27)25-18-20-10-12-22(13-11-20)30-19(2)3/h5-13,19H,4,14-18H2,1-3H3,(H,25,27)
InChIKeyORDPFTOPPXVKNO-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.47
Rot. Bonds8

About 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 78852985) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID78852985
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC(C)C)cc2)(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-14-24(15-17-26,21-8-6-5-7-9-21)23(27)25-18-20-10-12-22(13-11-20)30-19(2)3/h5-13,19H,4,14-18H2,1-3H3,(H,25,27)
InChIKeyORDPFTOPPXVKNO-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816371
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (CID 78852985) is 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC(C)C)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ORDPFTOPPXVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-31(28,29)26-16-14-24(15-17-26,21-8-6-5-7-9-21)23(27)25-18-20-10-12-22(13-11-20)30-19(2)3/h5-13,19H,4,14-18H2,1-3H3,(H,25,27).
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78852985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).