N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

C23H37N3O2 — CID 45242965

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C23H37N3O2/c27-22(24-13-10-18-5-2-1-3-6-18)20-7-4-14-26(17-20)21-11-15-25(16-12-21)23(28)19-8-9-19/h5,19-21H,1-4,6-17H2,(H,24,27)
InChIKeyPUSZNJPLZPZLHO-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45242965) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45242965
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C23H37N3O2/c27-22(24-13-10-18-5-2-1-3-6-18)20-7-4-14-26(17-20)21-11-15-25(16-12-21)23(28)19-8-9-19/h5,19-21H,1-4,6-17H2,(H,24,27)
InChIKeyPUSZNJPLZPZLHO-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.11
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 N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 45242965) is N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is PUSZNJPLZPZLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c27-22(24-13-10-18-5-2-1-3-6-18)20-7-4-14-26(17-20)21-11-15-25(16-12-21)23(28)19-8-9-19/h5,19-21H,1-4,6-17H2,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45242965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).