1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C19H28N2O — CID 82522868

IUPAC1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1c(CNC2CCCC2)cc2c(n1C1CCCC1)CCC2
InChIInChI=1S/C19H28N2O/c22-19-15(13-20-16-7-1-2-8-16)12-14-6-5-11-18(14)21(19)17-9-3-4-10-17/h12,16-17,20H,1-11,13H2
InChIKeyKPBSYKFQZIXURU-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522868) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522868
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1c(CNC2CCCC2)cc2c(n1C1CCCC1)CCC2
InChIInChI=1S/C19H28N2O/c22-19-15(13-20-16-7-1-2-8-16)12-14-6-5-11-18(14)21(19)17-9-3-4-10-17/h12,16-17,20H,1-11,13H2
InChIKeyKPBSYKFQZIXURU-UHFFFAOYSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522868) is 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is O=c1c(CNC2CCCC2)cc2c(n1C1CCCC1)CCC2.
What is the InChIKey of 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is KPBSYKFQZIXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19-15(13-20-16-7-1-2-8-16)12-14-6-5-11-18(14)21(19)17-9-3-4-10-17/h12,16-17,20H,1-11,13H2.
What are the key properties of 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 300.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).