(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate

C24H30N2O4 — CID 58933569

IUPAC(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(CCO)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-2-4-21(5-3-18)17-30-24(29)26-13-10-20(11-14-26)16-25-23(28)22-8-6-19(7-9-22)12-15-27/h2-9,20,27H,10-17H2,1H3,(H,25,28)
InChIKeyCJSFMBWBRZOJFT-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.31
Rot. Bonds7

About (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 58933569) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
PubChem CID58933569
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(CCO)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-2-4-21(5-3-18)17-30-24(29)26-13-10-20(11-14-26)16-25-23(28)22-8-6-19(7-9-22)12-15-27/h2-9,20,27H,10-17H2,1H3,(H,25,28)
InChIKeyCJSFMBWBRZOJFT-UHFFFAOYSA-N
XLogP3.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
(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-[[[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-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 157279730
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

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate (CID 58933569) is (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(CCO)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is CJSFMBWBRZOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-2-4-21(5-3-18)17-30-24(29)26-13-10-20(11-14-26)16-25-23(28)22-8-6-19(7-9-22)12-15-27/h2-9,20,27H,10-17H2,1H3,(H,25,28).
What are the key properties of (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).