benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate

C22H26N2O4 — CID 58933831

IUPACbenzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1(CNC(=O)c2ccc(O)cc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-22(16-23-20(26)18-7-9-19(25)10-8-18)11-13-24(14-12-22)21(27)28-15-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,23,26)
InChIKeyXLGGNHFHFKDOJJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.56
Rot. Bonds5

About benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate

benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 58933831) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
PubChem CID58933831
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namebenzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1(CNC(=O)c2ccc(O)cc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-22(16-23-20(26)18-7-9-19(25)10-8-18)11-13-24(14-12-22)21(27)28-15-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,23,26)
InChIKeyXLGGNHFHFKDOJJ-UHFFFAOYSA-N
XLogP3.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
benzyl N-[[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl]carbamate
CID 156713828
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate (CID 58933831) is benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate is CC1(CNC(=O)c2ccc(O)cc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is XLGGNHFHFKDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(16-23-20(26)18-7-9-19(25)10-8-18)11-13-24(14-12-22)21(27)28-15-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,23,26).
What are the key properties of benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 58933831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).