(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide

C16H25N3OS — CID 95343641

IUPAC(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1Cc1csc(C2CCCC2)n1
InChIInChI=1S/C16H25N3OS/c1-11-6-7-13(15(17)20)8-19(11)9-14-10-21-16(18-14)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,17,20)/t11-,13+/m1/s1
InChIKeyKTSUKESACZQDIB-YPMHNXCESA-N
MW307.46 g/mol
LogP2.89
Rot. Bonds4

About (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide

(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95343641) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID95343641
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1Cc1csc(C2CCCC2)n1
InChIInChI=1S/C16H25N3OS/c1-11-6-7-13(15(17)20)8-19(11)9-14-10-21-16(18-14)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,17,20)/t11-,13+/m1/s1
InChIKeyKTSUKESACZQDIB-YPMHNXCESA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-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-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122084145
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
6-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidine-3-carboxamide
CID 103055846
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 97246020
(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
(3S,6S)-6-methyl-1-[(5-nitrothiophen-3-yl)methyl]piperidine-3-carboxamide
CID 95308262
4-[4-[[(2S,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 97325866
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide (CID 95343641) is (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1Cc1csc(C2CCCC2)n1.
What is the InChIKey of (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is KTSUKESACZQDIB-YPMHNXCESA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-6-7-13(15(17)20)8-19(11)9-14-10-21-16(18-14)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,17,20)/t11-,13+/m1/s1.
What are the key properties of (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95343641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).