(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide

C18H26N2O2S — CID 94609410

IUPAC(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(SC)cc2)C1
InChIInChI=1S/C18H26N2O2S/c1-4-17(21)20-11-5-6-15(12-20)18(22)19-13(2)14-7-9-16(23-3)10-8-14/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyXFLDSFHTNAVPQB-UKRRQHHQSA-N
MW334.49 g/mol
LogP3.23
Rot. Bonds5

About (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide

(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 94609410) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID94609410
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(SC)cc2)C1
InChIInChI=1S/C18H26N2O2S/c1-4-17(21)20-11-5-6-15(12-20)18(22)19-13(2)14-7-9-16(23-3)10-8-14/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyXFLDSFHTNAVPQB-UKRRQHHQSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 46461137
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24515347
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide (CID 94609410) is (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(SC)cc2)C1.
What is the InChIKey of (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is XFLDSFHTNAVPQB-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-4-17(21)20-11-5-6-15(12-20)18(22)19-13(2)14-7-9-16(23-3)10-8-14/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 94609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).