N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride

C30H33Cl5N2O — CID 21477563

IUPACN-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
SMILESCl.O=C(NCC(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C30H32Cl4N2O.ClH/c31-25-9-10-26(28(33)19-25)30(37)35-20-24(23-8-11-27(32)29(34)18-23)7-4-14-36-15-12-22(13-16-36)17-21-5-2-1-3-6-21;/h1-3,5-6,8-11,18-19,22,24H,4,7,12-17,20H2,(H,35,37);1H
InChIKeyIXNRLQOSFTWYCP-UHFFFAOYSA-N
MW614.87 g/mol
LogP8.97
Rot. Bonds10

About N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride

N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride (PubChem CID 21477563) has the molecular formula C30H33Cl5N2O and a molecular weight of 614.87 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
PubChem CID21477563
Molecular FormulaC30H33Cl5N2O
Molecular Weight614.87 g/mol
Exact Mass612.10
IUPAC NameN-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
SMILESCl.O=C(NCC(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C30H32Cl4N2O.ClH/c31-25-9-10-26(28(33)19-25)30(37)35-20-24(23-8-11-27(32)29(34)18-23)7-4-14-36-15-12-22(13-16-36)17-21-5-2-1-3-6-21;/h1-3,5-6,8-11,18-19,22,24H,4,7,12-17,20H2,(H,35,37);1H
InChIKeyIXNRLQOSFTWYCP-UHFFFAOYSA-N
XLogP8.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.87
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 15746876
2,4-dichloro-N-[2-(3,4-dichlorophenyl)-4-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]butyl]benzamide;dihydrochloride
CID 18964211
5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
CID 70196534
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide
CID 22361698
N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
CID 72547640
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4-dichloroaniline;hydrochloride
CID 18538685
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(3-chlorophenyl)-1-phenylurea;hydrochloride
CID 22676695
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 3993970
N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
CID 23567564
1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
CID 58967885
2-(4-benzylpiperidin-1-yl)-5-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98420900

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride (CID 21477563) is N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride is Cl.O=C(NCC(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride?
The InChIKey is IXNRLQOSFTWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl4N2O.ClH/c31-25-9-10-26(28(33)19-25)30(37)35-20-24(23-8-11-27(32)29(34)18-23)7-4-14-36-15-12-22(13-16-36)17-21-5-2-1-3-6-21;/h1-3,5-6,8-11,18-19,22,24H,4,7,12-17,20H2,(H,35,37);1H.
What are the key properties of N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride?
N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride has a molecular weight of 614.87 g/mol, XLogP of 8.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 21477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).