(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

C18H31Cl2N3O — CID 119842325

IUPAC(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(19)13-15-7-5-4-6-8-15;;/h4-8,14,16-17H,9-13,19H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyKPVHZHAPPCVZEJ-RMRYJAPISA-N
MW376.37 g/mol
LogP2.73
Rot. Bonds5

About (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 119842325) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID119842325
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(19)13-15-7-5-4-6-8-15;;/h4-8,14,16-17H,9-13,19H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyKPVHZHAPPCVZEJ-RMRYJAPISA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 134047108
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
CID 97324947
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60939711
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (CID 119842325) is (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is CC(C)N1CCC(N(C)C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is KPVHZHAPPCVZEJ-RMRYJAPISA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-14(2)21-11-9-16(10-12-21)20(3)18(22)17(19)13-15-7-5-4-6-8-15;;/h4-8,14,16-17H,9-13,19H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119842325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).