(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide

C18H22N4O3S — CID 8562723

IUPAC(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CN=C2SCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-12-4-6-14(7-5-12)22-15(23)9-20-18(22)26-11-16(24)21-8-2-3-13(10-21)17(19)25/h4-7,13H,2-3,8-11H2,1H3,(H2,19,25)/t13-/m1/s1
InChIKeyFDPITBDIXREGBS-CYBMUJFWSA-N
MW374.47 g/mol
LogP1.15
Rot. Bonds4

About (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide

(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide (PubChem CID 8562723) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
PubChem CID8562723
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CN=C2SCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-12-4-6-14(7-5-12)22-15(23)9-20-18(22)26-11-16(24)21-8-2-3-13(10-21)17(19)25/h4-7,13H,2-3,8-11H2,1H3,(H2,19,25)/t13-/m1/s1
InChIKeyFDPITBDIXREGBS-CYBMUJFWSA-N
XLogP1.15
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-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

1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
CID 8562674
(3S)-1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8582066
(3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide
CID 9118937
1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 60705262
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 8731392
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784822
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide (CID 8562723) is (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide is Cc1ccc(N2C(=O)CN=C2SCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide?
The InChIKey is FDPITBDIXREGBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-4-6-14(7-5-12)22-15(23)9-20-18(22)26-11-16(24)21-8-2-3-13(10-21)17(19)25/h4-7,13H,2-3,8-11H2,1H3,(H2,19,25)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide?
(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 8562723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).