[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone

C15H28N2O — CID 165440990

IUPAC[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone
SMILESCC(C)CC1CCN(C(=O)C2CCCC2)CC1N
InChIInChI=1S/C15H28N2O/c1-11(2)9-13-7-8-17(10-14(13)16)15(18)12-5-3-4-6-12/h11-14H,3-10,16H2,1-2H3
InChIKeySFTPVVLYZQBAMH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds3

About [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone

[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 165440990) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID165440990
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone
SMILESCC(C)CC1CCN(C(=O)C2CCCC2)CC1N
InChIInChI=1S/C15H28N2O/c1-11(2)9-13-7-8-17(10-14(13)16)15(18)12-5-3-4-6-12/h11-14H,3-10,16H2,1-2H3
InChIKeySFTPVVLYZQBAMH-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone
CID 165440986
(3-amino-4-ethylpiperidin-1-yl)-cyclopentylmethanone
CID 165439908
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
1-[3-amino-4-(2-methylpropyl)piperidin-1-yl]-2-chloropropan-1-one
CID 165440977
1-[3-amino-4-(2-methylpropyl)piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 165440983
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone (CID 165440990) is [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone is CC(C)CC1CCN(C(=O)C2CCCC2)CC1N.
What is the InChIKey of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is SFTPVVLYZQBAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)9-13-7-8-17(10-14(13)16)15(18)12-5-3-4-6-12/h11-14H,3-10,16H2,1-2H3.
What are the key properties of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone?
[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 165440990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).