2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride

C18H31Cl2N3O — CID 119866668

IUPAC2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
SMILESCC(C)N1CCCC(CNC(=O)C(N)Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14(2)21-10-6-9-16(13-21)12-20-18(22)17(19)11-15-7-4-3-5-8-15;;/h3-5,7-8,14,16-17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyZCRIJJGIMKKIAF-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.64
Rot. Bonds6

About 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride

2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride (PubChem CID 119866668) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
PubChem CID119866668
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
SMILESCC(C)N1CCCC(CNC(=O)C(N)Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14(2)21-10-6-9-16(13-21)12-20-18(22)17(19)11-15-7-4-3-5-8-15;;/h3-5,7-8,14,16-17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyZCRIJJGIMKKIAF-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
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CID 119262630
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119870926
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride (CID 119866668) is 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride is CC(C)N1CCCC(CNC(=O)C(N)Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The InChIKey is ZCRIJJGIMKKIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-14(2)21-10-6-9-16(13-21)12-20-18(22)17(19)11-15-7-4-3-5-8-15;;/h3-5,7-8,14,16-17H,6,9-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119866668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).