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

C23H30N2O2 — CID 53321085

IUPAC(1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-3-9-16-25-17-14-20(15-18-25)27-23(26)24-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-13,20H,2-3,9,14-18H2,1H3,(H,24,26)
InChIKeyOGGMZCFUDVJLKS-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.56
Rot. Bonds7

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

(1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (PubChem CID 53321085) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name(1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
PubChem CID53321085
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-2-3-9-16-25-17-14-20(15-18-25)27-23(26)24-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-13,20H,2-3,9,14-18H2,1H3,(H,24,26)
InChIKeyOGGMZCFUDVJLKS-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The IUPAC name of (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (CID 53321085) is (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.
What is the SMILES notation for (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The canonical SMILES for (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is CCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The InChIKey is OGGMZCFUDVJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-9-16-25-17-14-20(15-18-25)27-23(26)24-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-13,20H,2-3,9,14-18H2,1H3,(H,24,26).
What are the key properties of (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
(1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate has a molecular weight of 366.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53321085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).