1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one

C14H27N3O — CID 107165265

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C14H27N3O/c1-14(6-9-16(3)10-7-14)11-17-8-4-5-12(15-2)13(17)18/h12,15H,4-11H2,1-3H3
InChIKeyAYTFPWMWTWGLKA-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one (PubChem CID 107165265) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
PubChem CID107165265
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C14H27N3O/c1-14(6-9-16(3)10-7-14)11-17-8-4-5-12(15-2)13(17)18/h12,15H,4-11H2,1-3H3
InChIKeyAYTFPWMWTWGLKA-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(methylamino)piperidin-2-one
CID 83114919
3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one
CID 83024236
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
CID 106432536
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
CID 113464183
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one (CID 107165265) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one is CNC1CCCN(CC2(C)CCN(C)CC2)C1=O.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one?
The InChIKey is AYTFPWMWTWGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(6-9-16(3)10-7-14)11-17-8-4-5-12(15-2)13(17)18/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 107165265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).