1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C27H38ClN3O4S — CID 142677090

IUPAC1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N(CC1CCCCC1)c1ccc(Oc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1.Cl
InChIInChI=1S/C27H37N3O4S.ClH/c1-35(32,33)30(20-21-5-3-2-4-6-21)24-9-13-26(14-10-24)34-25-11-7-22(8-12-25)19-29-17-15-23(16-18-29)27(28)31;/h7-14,21,23H,2-6,15-20H2,1H3,(H2,28,31);1H
InChIKeyXZHZDOVHEFUVLZ-UHFFFAOYSA-N
MW536.14 g/mol
LogP4.94
Rot. Bonds9

About 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 142677090) has the molecular formula C27H38ClN3O4S and a molecular weight of 536.14 g/mol. Its IUPAC name is 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID142677090
Molecular FormulaC27H38ClN3O4S
Molecular Weight536.14 g/mol
Exact Mass535.23
IUPAC Name1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N(CC1CCCCC1)c1ccc(Oc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1.Cl
InChIInChI=1S/C27H37N3O4S.ClH/c1-35(32,33)30(20-21-5-3-2-4-6-21)24-9-13-26(14-10-24)34-25-11-7-22(8-12-25)19-29-17-15-23(16-18-29)27(28)31;/h7-14,21,23H,2-6,15-20H2,1H3,(H2,28,31);1H
InChIKeyXZHZDOVHEFUVLZ-UHFFFAOYSA-N
XLogP4.94
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.14
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 142677085
4-butoxy-1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 142676934
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
2-cyclohexyl-N-[1-[[4-[4-[(2-cyclohexylacetyl)-methylsulfonylamino]phenoxy]phenyl]methyl]piperidin-4-yl]-N-propylacetamide
CID 67038323
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
N-butyl-N-(cyclohexylmethyl)-1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidine-4-carboxamide
CID 67037683
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767610
4-[4-[[4-(cyclohexylmethylcarbamoyl)piperidin-1-yl]methyl]phenoxy]benzoic acid;hydrochloride
CID 67038254
3-(2-cyclohexylethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-methylurea;hydrochloride
CID 67037837
2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767593
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
3-cyclohexyl-N-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]propanamide;hydrochloride
CID 67038765

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 142677090) is 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is CS(=O)(=O)N(CC1CCCCC1)c1ccc(Oc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1.Cl.
What is the InChIKey of 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is XZHZDOVHEFUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S.ClH/c1-35(32,33)30(20-21-5-3-2-4-6-21)24-9-13-26(14-10-24)34-25-11-7-22(8-12-25)19-29-17-15-23(16-18-29)27(28)31;/h7-14,21,23H,2-6,15-20H2,1H3,(H2,28,31);1H.
What are the key properties of 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 536.14 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[cyclohexylmethyl(methylsulfonyl)amino]phenoxy]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 142677090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).