4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C22H28N2O4 — CID 42415106

IUPAC4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(14-18)28-2)23-21(26)24-12-10-22(16-25,11-13-24)15-17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyGJZJBUQRYVYFQE-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.55
Rot. Bonds6

About 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 42415106) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID42415106
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(14-18)28-2)23-21(26)24-12-10-22(16-25,11-13-24)15-17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyGJZJBUQRYVYFQE-UHFFFAOYSA-N
XLogP3.55
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
N-(2,4-dimethoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005000
4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829832
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
(3S,4S)-4-benzyl-3-hydroxy-1-[(3-methoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 155919133
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 1027771
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 42415106) is 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is GJZJBUQRYVYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(14-18)28-2)23-21(26)24-12-10-22(16-25,11-13-24)15-17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42415106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).