(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate

C24H28N2O4 — CID 58933564

IUPAC(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(=O)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H28N2O4/c1-17-3-5-20(6-4-17)16-30-24(29)26-13-11-19(12-14-26)15-25-23(28)22-9-7-21(8-10-22)18(2)27/h3-10,19H,11-16H2,1-2H3,(H,25,28)
InChIKeyGAXYOVWDSWLZGW-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.98
Rot. Bonds6

About (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 58933564) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
PubChem CID58933564
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(=O)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H28N2O4/c1-17-3-5-20(6-4-17)16-30-24(29)26-13-11-19(12-14-26)15-25-23(28)22-9-7-21(8-10-22)18(2)27/h3-10,19H,11-16H2,1-2H3,(H,25,28)
InChIKeyGAXYOVWDSWLZGW-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
ethyl [4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930171
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10270687
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
tert-butyl 4-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 177072963
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate (CID 58933564) is (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate is CC(=O)c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is GAXYOVWDSWLZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17-3-5-20(6-4-17)16-30-24(29)26-13-11-19(12-14-26)15-25-23(28)22-9-7-21(8-10-22)18(2)27/h3-10,19H,11-16H2,1-2H3,(H,25,28).
What are the key properties of (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).