benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate

C20H22N2O3 — CID 146167876

IUPACbenzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
SMILESNC(=O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c21-19(23)18-8-6-16(7-9-18)17-10-12-22(13-11-17)20(24)25-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,21,23)
InChIKeyFVSUELBZHGYNCI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds4

About benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate

benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate (PubChem CID 146167876) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
PubChem CID146167876
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
SMILESNC(=O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c21-19(23)18-8-6-16(7-9-18)17-10-12-22(13-11-17)20(24)25-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,21,23)
InChIKeyFVSUELBZHGYNCI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
CID 114280143
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate (CID 146167876) is benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate is NC(=O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate?
The InChIKey is FVSUELBZHGYNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)18-8-6-16(7-9-18)17-10-12-22(13-11-17)20(24)25-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,21,23).
What are the key properties of benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate?
benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 146167876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).