1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one

C19H34N2O — CID 806712

IUPAC1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C19H34N2O/c22-19(10-9-17-7-3-4-8-17)21-15-11-18(12-16-21)20-13-5-1-2-6-14-20/h17-18H,1-16H2
InChIKeyOCWGMMHIXYKZAV-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.82
Rot. Bonds4

About 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 806712) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID806712
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C19H34N2O/c22-19(10-9-17-7-3-4-8-17)21-15-11-18(12-16-21)20-13-5-1-2-6-14-20/h17-18H,1-16H2
InChIKeyOCWGMMHIXYKZAV-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one (CID 806712) is 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is OCWGMMHIXYKZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c22-19(10-9-17-7-3-4-8-17)21-15-11-18(12-16-21)20-13-5-1-2-6-14-20/h17-18H,1-16H2.
What are the key properties of 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 306.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 806712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).