[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C29H43N3O2 — CID 53319787

IUPAC[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C29H43N3O2/c30-21-13-6-4-2-1-3-5-7-14-22-32-23-19-26(20-24-32)34-29(33)31-28-18-12-11-17-27(28)25-15-9-8-10-16-25/h8-12,15-18,26H,1-7,13-14,19-24,30H2,(H,31,33)
InChIKeyZTPMTVFZFFNGGK-UHFFFAOYSA-N
MW465.68 g/mol
LogP6.84
Rot. Bonds14

About [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53319787) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53319787
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC Name[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C29H43N3O2/c30-21-13-6-4-2-1-3-5-7-14-22-32-23-19-26(20-24-32)34-29(33)31-28-18-12-11-17-27(28)25-15-9-8-10-16-25/h8-12,15-18,26H,1-7,13-14,19-24,30H2,(H,31,33)
InChIKeyZTPMTVFZFFNGGK-UHFFFAOYSA-N
XLogP6.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 56.84
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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Related Compounds

Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-(Methylaminomethyl)phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
CID 52912223
Fentanyl ethylformate
CID 44371939
1-azabicyclo[2.2.2]octan-4-yl N-(2-phenylphenyl)carbamate;hydrochloride
CID 9798899
1-(9-Aminononyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53323772
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 138710768
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
CID 138711318
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
CID 138711325
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 155157200
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
Bis(2-dimethylaminoethyl) 4,4'-methylenebis(N-phenylcarbamate)
CID 342112
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
CID 10567858
1-(7-Aminoheptyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53317170

Frequently Asked Questions

What is the IUPAC name of [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53319787) is [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is ZTPMTVFZFFNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O2/c30-21-13-6-4-2-1-3-5-7-14-22-32-23-19-26(20-24-32)34-29(33)31-28-18-12-11-17-27(28)25-15-9-8-10-16-25/h8-12,15-18,26H,1-7,13-14,19-24,30H2,(H,31,33).
What are the key properties of [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 465.68 g/mol, XLogP of 6.84, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(11-aminoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53319787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).