benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate

C21H24N2O3 — CID 75365789

IUPACbenzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-7-9-19(10-8-16)22-20(24)18-11-13-23(14-12-18)21(25)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,22,24)
InChIKeyKKFVILLPQBHEEW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.98
Rot. Bonds4

About benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 75365789) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID75365789
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namebenzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-7-9-19(10-8-16)22-20(24)18-11-13-23(14-12-18)21(25)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,22,24)
InChIKeyKKFVILLPQBHEEW-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[[4-[(2S)-3-ethoxy-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 20686891
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 122152865
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate (CID 75365789) is benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate is Cc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is KKFVILLPQBHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-7-9-19(10-8-16)22-20(24)18-11-13-23(14-12-18)21(25)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,22,24).
What are the key properties of benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 75365789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).