2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide

C17H27N3O — CID 66273436

IUPAC2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)CCC1CCNCC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-16-6-4-3-5-7-16)20(2)13-10-15-8-11-18-12-9-15/h3-7,14-15,18H,8-13H2,1-2H3,(H,19,21)
InChIKeyTVQGXFAVXUGORK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.34
Rot. Bonds6

About 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide

2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide (PubChem CID 66273436) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
PubChem CID66273436
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)CCC1CCNCC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-16-6-4-3-5-7-16)20(2)13-10-15-8-11-18-12-9-15/h3-7,14-15,18H,8-13H2,1-2H3,(H,19,21)
InChIKeyTVQGXFAVXUGORK-UHFFFAOYSA-N
XLogP2.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
CID 54945242
N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66271946
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
CID 119929008
N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311611
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide (CID 66273436) is 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(C)CCC1CCNCC1.
What is the InChIKey of 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide?
The InChIKey is TVQGXFAVXUGORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(17(21)19-16-6-4-3-5-7-16)20(2)13-10-15-8-11-18-12-9-15/h3-7,14-15,18H,8-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide?
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 66273436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).