2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one

C15H28N2O — CID 80705947

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1CCC(C)(C)C1)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(14(18)17-9-5-4-6-10-17)16-13-7-8-15(2,3)11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZVERTAITVLNWMZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one

2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 80705947) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID80705947
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1CCC(C)(C)C1)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(14(18)17-9-5-4-6-10-17)16-13-7-8-15(2,3)11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZVERTAITVLNWMZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
CID 60931755
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one
CID 79358748
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one (CID 80705947) is 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one is CC(NC1CCC(C)(C)C1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZVERTAITVLNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(14(18)17-9-5-4-6-10-17)16-13-7-8-15(2,3)11-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 80705947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).