1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C25H35N3O2 — CID 25456452

IUPAC1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C25H35N3O2/c29-24(26-15-10-20-6-2-1-3-7-20)21-11-16-27(17-12-21)23-13-18-28(19-14-23)25(30)22-8-4-5-9-22/h1-3,6-8,21,23H,4-5,9-19H2,(H,26,29)
InChIKeyMCKPDDCJMLGKIE-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.16
Rot. Bonds6

About 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 25456452) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID25456452
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C25H35N3O2/c29-24(26-15-10-20-6-2-1-3-7-20)21-11-16-27(17-12-21)23-13-18-28(19-14-23)25(30)22-8-4-5-9-22/h1-3,6-8,21,23H,4-5,9-19H2,(H,26,29)
InChIKeyMCKPDDCJMLGKIE-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881321
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571690

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 25456452) is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is MCKPDDCJMLGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c29-24(26-15-10-20-6-2-1-3-7-20)21-11-16-27(17-12-21)23-13-18-28(19-14-23)25(30)22-8-4-5-9-22/h1-3,6-8,21,23H,4-5,9-19H2,(H,26,29).
What are the key properties of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25456452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).