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

C21H35N3O2 — CID 45222385

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H35N3O2/c1-4-22(14-16(2)3)21(26)18-6-5-11-24(15-18)19-9-12-23(13-10-19)20(25)17-7-8-17/h17-19H,2,4-15H2,1,3H3
InChIKeyXZRNDUFRNLSZRH-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.52
Rot. Bonds6

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

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide (PubChem CID 45222385) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
PubChem CID45222385
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H35N3O2/c1-4-22(14-16(2)3)21(26)18-6-5-11-24(15-18)19-9-12-23(13-10-19)20(25)17-7-8-17/h17-19H,2,4-15H2,1,3H3
InChIKeyXZRNDUFRNLSZRH-UHFFFAOYSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
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-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide (CID 45222385) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide is C=C(C)CN(CC)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The InChIKey is XZRNDUFRNLSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-4-22(14-16(2)3)21(26)18-6-5-11-24(15-18)19-9-12-23(13-10-19)20(25)17-7-8-17/h17-19H,2,4-15H2,1,3H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 45222385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).