(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

C18H27N3O2S — CID 42245576

IUPAC(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c22-17-8-7-14(13-21(17)15-5-3-1-2-4-6-15)18(23)20-10-9-16-19-11-12-24-16/h11-12,14-15H,1-10,13H2,(H,20,23)/t14-/m1/s1
InChIKeyPKBHKXZVSLFSEC-CQSZACIVSA-N
MW349.50 g/mol
LogP2.76
Rot. Bonds5

About (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 42245576) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID42245576
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c22-17-8-7-14(13-21(17)15-5-3-1-2-4-6-15)18(23)20-10-9-16-19-11-12-24-16/h11-12,14-15H,1-10,13H2,(H,20,23)/t14-/m1/s1
InChIKeyPKBHKXZVSLFSEC-CQSZACIVSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
CID 45231821
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
5-oxo-1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49355941
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95476503

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 42245576) is (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1nccs1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PKBHKXZVSLFSEC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17-8-7-14(13-21(17)15-5-3-1-2-4-6-15)18(23)20-10-9-16-19-11-12-24-16/h11-12,14-15H,1-10,13H2,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 42245576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).