2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride

C22H31Cl2N3O — CID 119845000

IUPAC2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCCN(Cc2ccc(NC(=O)C(N)Cc3ccccc3)cc2)C1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-6-5-13-25(15-17)16-19-9-11-20(12-10-19)24-22(26)21(23)14-18-7-3-2-4-8-18;;/h2-4,7-12,17,21H,5-6,13-16,23H2,1H3,(H,24,26);2*1H
InChIKeyQHCVCWPHPBUGLQ-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.27
Rot. Bonds6

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

2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119845000) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119845000
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CCCN(Cc2ccc(NC(=O)C(N)Cc3ccccc3)cc2)C1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-6-5-13-25(15-17)16-19-9-11-20(12-10-19)24-22(26)21(23)14-18-7-3-2-4-8-18;;/h2-4,7-12,17,21H,5-6,13-16,23H2,1H3,(H,24,26);2*1H
InChIKeyQHCVCWPHPBUGLQ-UHFFFAOYSA-N
XLogP4.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
1-benzyl-3-methylpiperidine
CID 2794856
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride (CID 119845000) is 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride is CC1CCCN(Cc2ccc(NC(=O)C(N)Cc3ccccc3)cc2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is QHCVCWPHPBUGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-17-6-5-13-25(15-17)16-19-9-11-20(12-10-19)24-22(26)21(23)14-18-7-3-2-4-8-18;;/h2-4,7-12,17,21H,5-6,13-16,23H2,1H3,(H,24,26);2*1H.
What are the key properties of 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119845000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).