N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide

C24H41N3O — CID 45211740

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide
SMILESO=C(C1=CCCC1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C24H41N3O/c28-24(22-10-2-3-11-22)27(18-17-25-14-6-1-7-15-25)20-21-9-8-16-26(19-21)23-12-4-5-13-23/h10,21,23H,1-9,11-20H2
InChIKeyDVLAEVFONRUNEH-UHFFFAOYSA-N
MW387.61 g/mol
LogP4.07
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide (PubChem CID 45211740) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide
PubChem CID45211740
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide
SMILESO=C(C1=CCCC1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C24H41N3O/c28-24(22-10-2-3-11-22)27(18-17-25-14-6-1-7-15-25)20-21-9-8-16-26(19-21)23-12-4-5-13-23/h10,21,23H,1-9,11-20H2
InChIKeyDVLAEVFONRUNEH-UHFFFAOYSA-N
XLogP4.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide (CID 45211740) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide is O=C(C1=CCCC1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide?
The InChIKey is DVLAEVFONRUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O/c28-24(22-10-2-3-11-22)27(18-17-25-14-6-1-7-15-25)20-21-9-8-16-26(19-21)23-12-4-5-13-23/h10,21,23H,1-9,11-20H2.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide has a molecular weight of 387.61 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 45211740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).