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

C24H35Cl2N3O2 — CID 119865519

IUPAC3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(CN2CCC(CNC(=O)C(C)C(N)c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-18(23(25)21-6-4-3-5-7-21)24(28)26-16-19-12-14-27(15-13-19)17-20-8-10-22(29-2)11-9-20;;/h3-11,18-19,23H,12-17,25H2,1-2H3,(H,26,28);2*1H
InChIKeyBDONRJLCZIBHTB-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.20
Rot. Bonds8

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

3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119865519) has the molecular formula C24H35Cl2N3O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119865519
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.47 g/mol
Exact Mass467.21
IUPAC Name3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(CN2CCC(CNC(=O)C(C)C(N)c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-18(23(25)21-6-4-3-5-7-21)24(28)26-16-19-12-14-27(15-13-19)17-20-8-10-22(29-2)11-9-20;;/h3-11,18-19,23H,12-17,25H2,1-2H3,(H,26,28);2*1H
InChIKeyBDONRJLCZIBHTB-UHFFFAOYSA-N
XLogP4.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
3-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119884300
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 119865519) is 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride is COc1ccc(CN2CCC(CNC(=O)C(C)C(N)c3ccccc3)CC2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is BDONRJLCZIBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.2ClH/c1-18(23(25)21-6-4-3-5-7-21)24(28)26-16-19-12-14-27(15-13-19)17-20-8-10-22(29-2)11-9-20;;/h3-11,18-19,23H,12-17,25H2,1-2H3,(H,26,28);2*1H.
What are the key properties of 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 468.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119865519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).