1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one

C15H28N2O — CID 83999976

IUPAC1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11(2)15(18)17-9-12(3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3
InChIKeyPXJZHMQYDCJZRV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83999976) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83999976
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11(2)15(18)17-9-12(3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3
InChIKeyPXJZHMQYDCJZRV-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
CID 83999951
1-(3-hydroxy-5-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 130871830
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747778
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943843
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 83999976) is 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one is CC1CC(NC2CCCC2)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PXJZHMQYDCJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)15(18)17-9-12(3)8-14(10-17)16-13-6-4-5-7-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83999976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).