benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate

C20H22N2O3 — CID 118012720

IUPACbenzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
SMILESNC(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c21-18(23)20(17-9-5-2-6-10-17)11-13-22(14-12-20)19(24)25-15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,23)
InChIKeyFZKROYUKOHOBNW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.84
Rot. Bonds4

About benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate

benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate (PubChem CID 118012720) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
PubChem CID118012720
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
SMILESNC(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c21-18(23)20(17-9-5-2-6-10-17)11-13-22(14-12-20)19(24)25-15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,23)
InChIKeyFZKROYUKOHOBNW-UHFFFAOYSA-N
XLogP2.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
CID 110637877
benzyl 4-[(3-chlorophenyl)-ethylcarbamoyl]-4-phenylpiperidine-1-carboxylate
CID 67419760

Frequently Asked Questions

What is the IUPAC name of benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate (CID 118012720) is benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate is NC(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate?
The InChIKey is FZKROYUKOHOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-18(23)20(17-9-5-2-6-10-17)11-13-22(14-12-20)19(24)25-15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,23).
What are the key properties of benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate?
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 118012720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).