(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate

C20H24N2O2 — CID 2812897

IUPAC(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)Oc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-12-16(2)14-17(13-15)21-20(23)24-19-9-5-4-8-18(19)22-10-6-3-7-11-22/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyRBTZPKMTYLQNNY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.90
Rot. Bonds3

About (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate

(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate (PubChem CID 2812897) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate
PubChem CID2812897
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)Oc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-12-16(2)14-17(13-15)21-20(23)24-19-9-5-4-8-18(19)22-10-6-3-7-11-22/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyRBTZPKMTYLQNNY-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The IUPAC name of (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate (CID 2812897) is (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate.
What is the SMILES notation for (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The canonical SMILES for (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate is Cc1cc(C)cc(NC(=O)Oc2ccccc2N2CCCCC2)c1.
What is the InChIKey of (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The InChIKey is RBTZPKMTYLQNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-12-16(2)14-17(13-15)21-20(23)24-19-9-5-4-8-18(19)22-10-6-3-7-11-22/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
(2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylphenyl) N-(3,5-dimethylphenyl)carbamate is sourced from PubChem (CID 2812897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).