N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide

C25H32Cl2N2O2 — CID 22405743

IUPACN-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C25H32Cl2N2O2/c1-28(25(31)20-5-3-2-4-6-20)18-22(21-7-8-23(26)24(27)17-21)11-15-29-13-9-19(10-14-29)12-16-30/h2-8,17,19,22,30H,9-16,18H2,1H3
InChIKeyRIPLBEGVRWQMCK-UHFFFAOYSA-N
MW463.45 g/mol
LogP5.33
Rot. Bonds9

About N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide (PubChem CID 22405743) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide
PubChem CID22405743
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C25H32Cl2N2O2/c1-28(25(31)20-5-3-2-4-6-20)18-22(21-7-8-23(26)24(27)17-21)11-15-29-13-9-19(10-14-29)12-16-30/h2-8,17,19,22,30H,9-16,18H2,1H3
InChIKeyRIPLBEGVRWQMCK-UHFFFAOYSA-N
XLogP5.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Saredutant
CID 104974
Benzamide,N-[4-[4-(acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methyl-
CID 9850582
N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
N-[2-(3,4-Dichloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 9849962
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-ethyl-1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 9914111
N-[2-(3,4-Dichloro-phenyl)-4-(3-morpholin-4-yl-azetidin-1-yl)-butyl]-N-methyl-benzamide
CID 10005190
4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 11796211
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405732
N-[2-(3,4-Dichloro-phenyl)-4-(4-propyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 22405734
N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
CID 22405735
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
CID 22405753

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide (CID 22405743) is N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide is CN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide?
The InChIKey is RIPLBEGVRWQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-28(25(31)20-5-3-2-4-6-20)18-22(21-7-8-23(26)24(27)17-21)11-15-29-13-9-19(10-14-29)12-16-30/h2-8,17,19,22,30H,9-16,18H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide has a molecular weight of 463.45 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]-N-methylbenzamide is sourced from PubChem (CID 22405743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).