1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one

C16H30N2O — CID 79859942

IUPAC1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)15(19)18-10-7-13(8-11-18)17-14-6-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeySNVCEQYRTGQKPV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 79859942) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID79859942
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCCC2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)15(19)18-10-7-13(8-11-18)17-14-6-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeySNVCEQYRTGQKPV-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
tert-butyl 4-[(2,2-dimethylcyclopentyl)amino]azepane-1-carboxylate
CID 103982462
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
N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 79861175
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
2-(1-aminocyclopentyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 64686035
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-methyl-1-[2-(propan-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 164567308

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one (CID 79859942) is 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NC2CCCC2(C)C)CC1.
What is the InChIKey of 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SNVCEQYRTGQKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)15(19)18-10-7-13(8-11-18)17-14-6-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 79859942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).