N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride

C30H42Cl3N3O — CID 67565192

IUPACN-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NC1(c2ccccc2)CCN(C(CCC2CCCNC2)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C30H41Cl2N3O.ClH/c1-29(2,3)28(36)34-30(24-9-5-4-6-10-24)15-18-35(19-16-30)27(14-11-22-8-7-17-33-21-22)23-12-13-25(31)26(32)20-23;/h4-6,9-10,12-13,20,22,27,33H,7-8,11,14-19,21H2,1-3H3,(H,34,36);1H
InChIKeyRMPHGLLBNGPMHO-UHFFFAOYSA-N
MW567.05 g/mol
LogP7.39
Rot. Bonds7

About N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride

N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 67565192) has the molecular formula C30H42Cl3N3O and a molecular weight of 567.05 g/mol. Its IUPAC name is N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID67565192
Molecular FormulaC30H42Cl3N3O
Molecular Weight567.05 g/mol
Exact Mass565.24
IUPAC NameN-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NC1(c2ccccc2)CCN(C(CCC2CCCNC2)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C30H41Cl2N3O.ClH/c1-29(2,3)28(36)34-30(24-9-5-4-6-10-24)15-18-35(19-16-30)27(14-11-22-8-7-17-33-21-22)23-12-13-25(31)26(32)20-23;/h4-6,9-10,12-13,20,22,27,33H,7-8,11,14-19,21H2,1-3H3,(H,34,36);1H
InChIKeyRMPHGLLBNGPMHO-UHFFFAOYSA-N
XLogP7.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.05
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride (CID 67565192) is N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)NC1(c2ccccc2)CCN(C(CCC2CCCNC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is RMPHGLLBNGPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41Cl2N3O.ClH/c1-29(2,3)28(36)34-30(24-9-5-4-6-10-24)15-18-35(19-16-30)27(14-11-22-8-7-17-33-21-22)23-12-13-25(31)26(32)20-23;/h4-6,9-10,12-13,20,22,27,33H,7-8,11,14-19,21H2,1-3H3,(H,34,36);1H.
What are the key properties of N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride?
N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 567.05 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dichlorophenyl)-3-piperidin-3-ylpropyl]-4-phenylpiperidin-4-yl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 67565192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).