[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C28H41N3O2 — CID 53326588

IUPAC[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2/c29-20-12-5-3-1-2-4-6-13-21-31-22-18-25(19-23-31)33-28(32)30-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,1-6,12-13,18-23,29H2,(H,30,32)
InChIKeySJQCPEITVGUNOS-UHFFFAOYSA-N
MW451.66 g/mol
LogP6.45
Rot. Bonds13

About [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53326588) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53326588
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2/c29-20-12-5-3-1-2-4-6-13-21-31-22-18-25(19-23-31)33-28(32)30-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,1-6,12-13,18-23,29H2,(H,30,32)
InChIKeySJQCPEITVGUNOS-UHFFFAOYSA-N
XLogP6.45
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 56.45
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-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53326588) is [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is SJQCPEITVGUNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c29-20-12-5-3-1-2-4-6-13-21-31-22-18-25(19-23-31)33-28(32)30-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,1-6,12-13,18-23,29H2,(H,30,32).
What are the key properties of [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 451.66 g/mol, XLogP of 6.45, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(10-aminodecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53326588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).