1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one

C17H33N3O — CID 92924220

IUPAC1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
SMILESCCN(CCCC(=O)N1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-19(16-7-4-3-5-8-16)12-6-9-17(21)20-13-10-15(18)11-14-20/h15-16H,2-14,18H2,1H3
InChIKeyNLYSHUGOYCTXTH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.37
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one

1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one (PubChem CID 92924220) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
PubChem CID92924220
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
SMILESCCN(CCCC(=O)N1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-19(16-7-4-3-5-8-16)12-6-9-17(21)20-13-10-15(18)11-14-20/h15-16H,2-14,18H2,1H3
InChIKeyNLYSHUGOYCTXTH-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
CID 114014883
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
CID 82042195
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
CID 63299400
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one (CID 92924220) is 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one is CCN(CCCC(=O)N1CCC(N)CC1)C1CCCCC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one?
The InChIKey is NLYSHUGOYCTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-19(16-7-4-3-5-8-16)12-6-9-17(21)20-13-10-15(18)11-14-20/h15-16H,2-14,18H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one?
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one is sourced from PubChem (CID 92924220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).