(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

C18H25ClN2O2S — CID 25279459

IUPAC(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H25ClN2O2S/c19-16-9-8-15(24-16)11-20-18(23)13-7-10-17(22)21(12-13)14-5-3-1-2-4-6-14/h8-9,13-14H,1-7,10-12H2,(H,20,23)/t13-/m0/s1
InChIKeyGMVBUTWQRZXCGI-ZDUSSCGKSA-N
MW368.93 g/mol
LogP3.98
Rot. Bonds4

About (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (PubChem CID 25279459) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
PubChem CID25279459
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H25ClN2O2S/c19-16-9-8-15(24-16)11-20-18(23)13-7-10-17(22)21(12-13)14-5-3-1-2-4-6-14/h8-9,13-14H,1-7,10-12H2,(H,20,23)/t13-/m0/s1
InChIKeyGMVBUTWQRZXCGI-ZDUSSCGKSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (CID 25279459) is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is O=C(NCc1ccc(Cl)s1)[C@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The InChIKey is GMVBUTWQRZXCGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c19-16-9-8-15(24-16)11-20-18(23)13-7-10-17(22)21(12-13)14-5-3-1-2-4-6-14/h8-9,13-14H,1-7,10-12H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide has a molecular weight of 368.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25279459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).