N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

C20H31N3O2 — CID 56878806

IUPACN-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC=CC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-5-1-2-6-17)16-4-3-11-23(14-16)18-9-12-22(13-10-18)20(25)15-7-8-15/h1-2,15-18H,3-14H2,(H,21,24)
InChIKeyGBMAYWYVJGVOJJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.93
Rot. Bonds4

About N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56878806) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56878806
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC=CC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-5-1-2-6-17)16-4-3-11-23(14-16)18-9-12-22(13-10-18)20(25)15-7-8-15/h1-2,15-18H,3-14H2,(H,21,24)
InChIKeyGBMAYWYVJGVOJJ-UHFFFAOYSA-N
XLogP1.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.93
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-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56878806) is N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC=CC1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GBMAYWYVJGVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19(21-17-5-1-2-6-17)16-4-3-11-23(14-16)18-9-12-22(13-10-18)20(25)15-7-8-15/h1-2,15-18H,3-14H2,(H,21,24).
What are the key properties of N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56878806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).