[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C23H31N3O2 — CID 53326849

IUPAC[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27)
InChIKeyAANNUKSOCVVCRY-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.50
Rot. Bonds8

About [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53326849) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53326849
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27)
InChIKeyAANNUKSOCVVCRY-UHFFFAOYSA-N
XLogP4.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53326849) is [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is AANNUKSOCVVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27).
What are the key properties of [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 381.52 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53326849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).