[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C25H35N3O2 — CID 53317170

IUPAC[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H35N3O2/c26-17-9-2-1-3-10-18-28-19-15-22(16-20-28)30-25(29)27-24-14-8-7-13-23(24)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20,26H2,(H,27,29)
InChIKeyQWGJSLGCLDLRCT-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.28
Rot. Bonds10

About [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53317170) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53317170
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H35N3O2/c26-17-9-2-1-3-10-18-28-19-15-22(16-20-28)30-25(29)27-24-14-8-7-13-23(24)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20,26H2,(H,27,29)
InChIKeyQWGJSLGCLDLRCT-UHFFFAOYSA-N
XLogP5.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.28
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-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53317170) is [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is QWGJSLGCLDLRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c26-17-9-2-1-3-10-18-28-19-15-22(16-20-28)30-25(29)27-24-14-8-7-13-23(24)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20,26H2,(H,27,29).
What are the key properties of [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 409.57 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-aminoheptyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53317170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).