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

C22H29N3O2 — CID 53325044

IUPAC[1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c23-14-6-7-15-25-16-12-19(13-17-25)27-22(26)24-21-11-5-4-10-20(21)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17,23H2,(H,24,26)
InChIKeyUTIXCFWOKAICCG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.11
Rot. Bonds7

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

[1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53325044) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53325044
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c23-14-6-7-15-25-16-12-19(13-17-25)27-22(26)24-21-11-5-4-10-20(21)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17,23H2,(H,24,26)
InChIKeyUTIXCFWOKAICCG-UHFFFAOYSA-N
XLogP4.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.11
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-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53325044) is [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is UTIXCFWOKAICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-14-6-7-15-25-16-12-19(13-17-25)27-22(26)24-21-11-5-4-10-20(21)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17,23H2,(H,24,26).
What are the key properties of [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminobutyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53325044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).