3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride

C24H35Cl2N3O — CID 119953381

IUPAC3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)CC(N)c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O.2ClH/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)26-23(28)17-22(25)18-7-5-4-6-8-18;;/h4-12,20,22H,13-17,25H2,1-3H3,(H,26,28);2*1H
InChIKeyCGMXWQONRVLTQL-UHFFFAOYSA-N
MW452.47 g/mol
LogP5.00
Rot. Bonds5

About 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953381) has the molecular formula C24H35Cl2N3O and a molecular weight of 452.47 g/mol. Its IUPAC name is 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953381
Molecular FormulaC24H35Cl2N3O
Molecular Weight452.47 g/mol
Exact Mass451.22
IUPAC Name3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)CC(N)c3ccccc3)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O.2ClH/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)26-23(28)17-22(25)18-7-5-4-6-8-18;;/h4-12,20,22H,13-17,25H2,1-3H3,(H,26,28);2*1H
InChIKeyCGMXWQONRVLTQL-UHFFFAOYSA-N
XLogP5.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
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CID 43711347
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935166
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride (CID 119953381) is 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride is CC(C)(C)c1ccc(N2CCC(NC(=O)CC(N)c3ccccc3)CC2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is CGMXWQONRVLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.2ClH/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)26-23(28)17-22(25)18-7-5-4-6-8-18;;/h4-12,20,22H,13-17,25H2,1-3H3,(H,26,28);2*1H.
What are the key properties of 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 452.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).