1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one

C17H24N2O2 — CID 119397428

IUPAC1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCCC(CNC)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-16(20)14-6-8-15(9-7-14)17(21)19-10-4-5-13(12-19)11-18-2/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyNEUQUDXTSJBRLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one

1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one (PubChem CID 119397428) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
PubChem CID119397428
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCCC(CNC)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-16(20)14-6-8-15(9-7-14)17(21)19-10-4-5-13(12-19)11-18-2/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyNEUQUDXTSJBRLC-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119397904
[3-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119397113
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
[3-(methylaminomethyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119398891
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one (CID 119397428) is 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one is CCC(=O)c1ccc(C(=O)N2CCCC(CNC)C2)cc1.
What is the InChIKey of 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one?
The InChIKey is NEUQUDXTSJBRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-16(20)14-6-8-15(9-7-14)17(21)19-10-4-5-13(12-19)11-18-2/h6-9,13,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one?
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one is sourced from PubChem (CID 119397428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).