3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one

C16H30N2O2 — CID 107395786

IUPAC3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCOC1(C)CCCN(C(=O)CCC2CCC(N)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(20-2)10-3-11-18(12-16)15(19)9-6-13-4-7-14(17)8-5-13/h13-14H,3-12,17H2,1-2H3
InChIKeyGUHIMLSXQVQPAU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds4

About 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one

3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 107395786) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
PubChem CID107395786
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCOC1(C)CCCN(C(=O)CCC2CCC(N)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(20-2)10-3-11-18(12-16)15(19)9-6-13-4-7-14(17)8-5-13/h13-14H,3-12,17H2,1-2H3
InChIKeyGUHIMLSXQVQPAU-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439
3-(4-aminocyclohexyl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 62781510
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393992
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one (CID 107395786) is 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one is COC1(C)CCCN(C(=O)CCC2CCC(N)CC2)C1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GUHIMLSXQVQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(20-2)10-3-11-18(12-16)15(19)9-6-13-4-7-14(17)8-5-13/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one?
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 107395786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).