1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide

C16H22N2O2S — CID 848339

IUPAC1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(S[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11-3-5-14(6-4-11)21-12(2)16(20)18-9-7-13(8-10-18)15(17)19/h3-6,12-13H,7-10H2,1-2H3,(H2,17,19)/t12-/m1/s1
InChIKeyRCQTUQGMKMRSAI-GFCCVEGCSA-N
MW306.43 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide

1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 848339) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID848339
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(S[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11-3-5-14(6-4-11)21-12(2)16(20)18-9-7-13(8-10-18)15(17)19/h3-6,12-13H,7-10H2,1-2H3,(H2,17,19)/t12-/m1/s1
InChIKeyRCQTUQGMKMRSAI-GFCCVEGCSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926
3-[1-[2-(4-methylphenyl)sulfanylpropanoyl]piperidin-4-yl]propanoic acid
CID 131942512
2-(4-methylphenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 131927097
2-(4-methylphenyl)sulfanyl-1-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 131929591
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692
1-[2-(4-bromophenyl)sulfanylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119355195
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 848339) is 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide is Cc1ccc(S[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is RCQTUQGMKMRSAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-3-5-14(6-4-11)21-12(2)16(20)18-9-7-13(8-10-18)15(17)19/h3-6,12-13H,7-10H2,1-2H3,(H2,17,19)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 848339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).