1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

C17H27N3O — CID 109026177

IUPAC1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCC1CCCN(C(=O)CCN(C)CCc2ccncc2)C1
InChIInChI=1S/C17H27N3O/c1-15-4-3-11-20(14-15)17(21)8-13-19(2)12-7-16-5-9-18-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyNCLASGMBVNVMNT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.20
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (PubChem CID 109026177) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
PubChem CID109026177
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCC1CCCN(C(=O)CCN(C)CCc2ccncc2)C1
InChIInChI=1S/C17H27N3O/c1-15-4-3-11-20(14-15)17(21)8-13-19(2)12-7-16-5-9-18-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyNCLASGMBVNVMNT-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
methyl 2-methyl-2-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]propanoate
CID 97061541
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95147475

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (CID 109026177) is 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is CC1CCCN(C(=O)CCN(C)CCc2ccncc2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The InChIKey is NCLASGMBVNVMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-4-3-11-20(14-15)17(21)8-13-19(2)12-7-16-5-9-18-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is sourced from PubChem (CID 109026177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).