4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

C20H22Cl2N2O2 — CID 24748090

IUPAC4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(18(22)12-17)14-23-19(25)24-10-8-20(26,9-11-24)13-15-4-2-1-3-5-15/h1-7,12,26H,8-11,13-14H2,(H,23,25)
InChIKeyJMCAOUXDMAGBDO-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.27
Rot. Bonds4

About 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 24748090) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID24748090
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(18(22)12-17)14-23-19(25)24-10-8-20(26,9-11-24)13-15-4-2-1-3-5-15/h1-7,12,26H,8-11,13-14H2,(H,23,25)
InChIKeyJMCAOUXDMAGBDO-UHFFFAOYSA-N
XLogP4.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
N-(2,4-dichlorobenzyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 24748125
N-(2,4-dichlorobenzyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748436
1-Benzyl-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-urea
CID 11828013
1-(2-(1-(Bis(2-chlorophenyl)methyl)-4-hydroxypiperidin-4-yl)benzyl)-3-methylurea
CID 44430079
1-(2-(1-(Bis(2-chlorophenyl)methyl)-4-hydroxypiperidin-4-yl)benzyl)-3-ethylurea
CID 44430080
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 129105204
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55769862
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 154862650
N-benzyl-4-(4-chlorobenzyl)-4-(hydroxymethyl)-1-piperidinecarboxamide
CID 30876673
N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 57670351
4-(4-chlorophenyl)-4-hydroxy-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 60130251

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 24748090) is 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is JMCAOUXDMAGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-7-6-16(18(22)12-17)14-23-19(25)24-10-8-20(26,9-11-24)13-15-4-2-1-3-5-15/h1-7,12,26H,8-11,13-14H2,(H,23,25).
What are the key properties of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 24748090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).