(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate

C21H26N2O2 — CID 53317169

IUPAC(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-14-23-15-12-18(13-16-23)25-21(24)22-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeyQMNIWLSHBOAIRC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.78
Rot. Bonds5

About (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate

(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (PubChem CID 53317169) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
PubChem CID53317169
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-14-23-15-12-18(13-16-23)25-21(24)22-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeyQMNIWLSHBOAIRC-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The IUPAC name of (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (CID 53317169) is (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.
What is the SMILES notation for (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The canonical SMILES for (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The InChIKey is QMNIWLSHBOAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-14-23-15-12-18(13-16-23)25-21(24)22-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24).
What are the key properties of (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
(1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53317169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).