4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C17H27N3O2 — CID 91910217

IUPAC4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C17H27N3O2/c1-18-17(22)19-9-6-13(7-10-19)15-8-11-20(12-15)16(21)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3,(H,18,22)
InChIKeyCOHCNZFDEGQPEE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.85
Rot. Bonds2

About 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910217) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910217
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C17H27N3O2/c1-18-17(22)19-9-6-13(7-10-19)15-8-11-20(12-15)16(21)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3,(H,18,22)
InChIKeyCOHCNZFDEGQPEE-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910217) is 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1.
What is the InChIKey of 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is COHCNZFDEGQPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-17(22)19-9-6-13(7-10-19)15-8-11-20(12-15)16(21)14-4-2-3-5-14/h2-3,13-15H,4-12H2,1H3,(H,18,22).
What are the key properties of 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).