1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H31N3O — CID 79458862

IUPAC1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-14-6-4-5-12(17)11-14/h12-14,18H,4-11,17H2,1-3H3
InChIKeyIEIYUUSKHUFAGR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds2

About 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 79458862) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID79458862
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-14-6-4-5-12(17)11-14/h12-14,18H,4-11,17H2,1-3H3
InChIKeyIEIYUUSKHUFAGR-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 79458461
4-[(3-ethylcyclohexyl)amino]piperidine-1-carboxamide
CID 64742206
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 3-[(3-aminocyclohexyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244911
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
CID 115335773
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 79458862) is 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NC2CCCC(N)C2)CC1.
What is the InChIKey of 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IEIYUUSKHUFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)15(20)19-9-7-13(8-10-19)18-14-6-4-5-12(17)11-14/h12-14,18H,4-11,17H2,1-3H3.
What are the key properties of 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 79458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).