3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one

C17H26N2O — CID 63236356

IUPAC3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCN1CCC(CN(C)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-18-11-8-15(9-12-18)14-19(2)13-10-17(20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyDUPWCTUFJVZBED-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds6

About 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one (PubChem CID 63236356) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
PubChem CID63236356
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCN1CCC(CN(C)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-18-11-8-15(9-12-18)14-19(2)13-10-17(20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyDUPWCTUFJVZBED-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
CID 62630543
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
CID 78998004
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 147617765

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one (CID 63236356) is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one is CN1CCC(CN(C)CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The InChIKey is DUPWCTUFJVZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18-11-8-15(9-12-18)14-19(2)13-10-17(20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one is sourced from PubChem (CID 63236356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).