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

C22H28N2O2 — CID 53321084

IUPAC(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-3-15-24-16-13-19(14-17-24)26-22(25)23-21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,19H,2-3,13-17H2,1H3,(H,23,25)
InChIKeyVEZUYUPQRWMWRR-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.17
Rot. Bonds6

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

(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (PubChem CID 53321084) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
PubChem CID53321084
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-3-15-24-16-13-19(14-17-24)26-22(25)23-21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,19H,2-3,13-17H2,1H3,(H,23,25)
InChIKeyVEZUYUPQRWMWRR-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The IUPAC name of (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (CID 53321084) is (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.
What is the SMILES notation for (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The canonical SMILES for (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is CCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The InChIKey is VEZUYUPQRWMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-3-15-24-16-13-19(14-17-24)26-22(25)23-21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,19H,2-3,13-17H2,1H3,(H,23,25).
What are the key properties of (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate has a molecular weight of 352.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53321084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).