3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride

C23H33Cl2N3O — CID 119883047

IUPAC3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C(CN)c2ccccc2)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-15-21(13-14-26(18)17-19-9-5-3-6-10-19)25(2)23(27)22(16-24)20-11-7-4-8-12-20;;/h3-12,18,21-22H,13-17,24H2,1-2H3;2*1H
InChIKeyPQFKFLDINZWZOT-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.08
Rot. Bonds6

About 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride

3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride (PubChem CID 119883047) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
PubChem CID119883047
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C(CN)c2ccccc2)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18-15-21(13-14-26(18)17-19-9-5-3-6-10-19)25(2)23(27)22(16-24)20-11-7-4-8-12-20;;/h3-12,18,21-22H,13-17,24H2,1-2H3;2*1H
InChIKeyPQFKFLDINZWZOT-UHFFFAOYSA-N
XLogP4.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 100851810

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride (CID 119883047) is 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride is CC1CC(N(C)C(=O)C(CN)c2ccccc2)CCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride?
The InChIKey is PQFKFLDINZWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-18-15-21(13-14-26(18)17-19-9-5-3-6-10-19)25(2)23(27)22(16-24)20-11-7-4-8-12-20;;/h3-12,18,21-22H,13-17,24H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride?
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119883047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).