2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide

C18H27N3O2 — CID 119397639

IUPAC2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCNCC1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)20-16-8-6-15(7-9-16)18(23)21-10-4-5-14(12-21)11-19-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyNKVXDBSIMQJAGC-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide

2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 119397639) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
PubChem CID119397639
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCNCC1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)20-16-8-6-15(7-9-16)18(23)21-10-4-5-14(12-21)11-19-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyNKVXDBSIMQJAGC-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
(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-(methylaminomethyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119398891
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide (CID 119397639) is 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide is CNCC1CCCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1.
What is the InChIKey of 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is NKVXDBSIMQJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)17(22)20-16-8-6-15(7-9-16)18(23)21-10-4-5-14(12-21)11-19-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,20,22).
What are the key properties of 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide?
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 119397639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).