(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide

C17H26N4O2 — CID 97132906

IUPAC(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H26N4O2/c22-16-8-7-13(17(23)20-11-15-18-9-10-19-15)12-21(16)14-5-3-1-2-4-6-14/h9-10,13-14H,1-8,11-12H2,(H,18,19)(H,20,23)/t13-/m0/s1
InChIKeyUUQUTTWUNDSYIN-ZDUSSCGKSA-N
MW318.42 g/mol
LogP1.99
Rot. Bonds4

About (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide

(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 97132906) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID97132906
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H26N4O2/c22-16-8-7-13(17(23)20-11-15-18-9-10-19-15)12-21(16)14-5-3-1-2-4-6-14/h9-10,13-14H,1-8,11-12H2,(H,18,19)(H,20,23)/t13-/m0/s1
InChIKeyUUQUTTWUNDSYIN-ZDUSSCGKSA-N
XLogP1.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 97132906) is (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1ncc[nH]1)[C@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UUQUTTWUNDSYIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16-8-7-13(17(23)20-11-15-18-9-10-19-15)12-21(16)14-5-3-1-2-4-6-14/h9-10,13-14H,1-8,11-12H2,(H,18,19)(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide?
(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97132906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).