(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H27N3O2S — CID 97130097

IUPAC(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-20-15(12-24-13)10-19-18(23)14-8-9-17(22)21(11-14)16-6-4-2-3-5-7-16/h12,14,16H,2-11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyJZPRMWTXGIGEBV-CQSZACIVSA-N
MW349.50 g/mol
LogP3.03
Rot. Bonds4

About (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97130097) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID97130097
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-20-15(12-24-13)10-19-18(23)14-8-9-17(22)21(11-14)16-6-4-2-3-5-7-16/h12,14,16H,2-11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyJZPRMWTXGIGEBV-CQSZACIVSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3R)-1-cycloheptyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42097141
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
CID 45231821
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42241808
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
(3S)-1-cyclopentyl-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97114027
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 97130097) is (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)cs1.
What is the InChIKey of (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JZPRMWTXGIGEBV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-20-15(12-24-13)10-19-18(23)14-8-9-17(22)21(11-14)16-6-4-2-3-5-7-16/h12,14,16H,2-11H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97130097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).