1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C22H37N3O2 — CID 25492930

IUPAC1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)CC3=CCCCC3)CC2)CC1
InChIInChI=1S/C22H37N3O2/c1-17(2)23-22(27)19-8-12-24(13-9-19)20-10-14-25(15-11-20)21(26)16-18-6-4-3-5-7-18/h6,17,19-20H,3-5,7-16H2,1-2H3,(H,23,27)
InChIKeyVPYDHBJOLTWLHI-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 25492930) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID25492930
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)CC3=CCCCC3)CC2)CC1
InChIInChI=1S/C22H37N3O2/c1-17(2)23-22(27)19-8-12-24(13-9-19)20-10-14-25(15-11-20)21(26)16-18-6-4-3-5-7-18/h6,17,19-20H,3-5,7-16H2,1-2H3,(H,23,27)
InChIKeyVPYDHBJOLTWLHI-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 25492930) is 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)CC3=CCCCC3)CC2)CC1.
What is the InChIKey of 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VPYDHBJOLTWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-17(2)23-22(27)19-8-12-24(13-9-19)20-10-14-25(15-11-20)21(26)16-18-6-4-3-5-7-18/h6,17,19-20H,3-5,7-16H2,1-2H3,(H,23,27).
What are the key properties of 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 25492930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).