(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

C18H20N2O2S — CID 95331565

IUPAC(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)CC1=O
InChIInChI=1S/C18H20N2O2S/c1-19-9-7-15(11-17(19)21)18(22)20(12-14-8-10-23-13-14)16-5-3-2-4-6-16/h2-6,8,10,13,15H,7,9,11-12H2,1H3/t15-/m0/s1
InChIKeyZTUZFGYYEKKRFM-HNNXBMFYSA-N
MW328.44 g/mol
LogP3.15
Rot. Bonds4

About (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 95331565) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
PubChem CID95331565
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)CC1=O
InChIInChI=1S/C18H20N2O2S/c1-19-9-7-15(11-17(19)21)18(22)20(12-14-8-10-23-13-14)16-5-3-2-4-6-16/h2-6,8,10,13,15H,7,9,11-12H2,1H3/t15-/m0/s1
InChIKeyZTUZFGYYEKKRFM-HNNXBMFYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75468522
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide (CID 95331565) is (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide is CN1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)CC1=O.
What is the InChIKey of (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZTUZFGYYEKKRFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-19-9-7-15(11-17(19)21)18(22)20(12-14-8-10-23-13-14)16-5-3-2-4-6-16/h2-6,8,10,13,15H,7,9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 95331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).