1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide

C17H29N3O2 — CID 69421394

IUPAC1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CCN(C3CCCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c18-16(21)15-7-4-10-20(17(15)22)14-8-11-19(12-9-14)13-5-2-1-3-6-13/h13-15H,1-12H2,(H2,18,21)
InChIKeyCEEFKGSSHDKTDS-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.51
Rot. Bonds3

About 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide

1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide (PubChem CID 69421394) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
PubChem CID69421394
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C2CCN(C3CCCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c18-16(21)15-7-4-10-20(17(15)22)14-8-11-19(12-9-14)13-5-2-1-3-6-13/h13-15H,1-12H2,(H2,18,21)
InChIKeyCEEFKGSSHDKTDS-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide (CID 69421394) is 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide is NC(=O)C1CCCN(C2CCN(C3CCCCC3)CC2)C1=O.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide?
The InChIKey is CEEFKGSSHDKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c18-16(21)15-7-4-10-20(17(15)22)14-8-11-19(12-9-14)13-5-2-1-3-6-13/h13-15H,1-12H2,(H2,18,21).
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide?
1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 69421394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).