8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate

C24H40N2O2 — CID 11825276

IUPAC8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCCCCCCCN1CCCCC1
InChIInChI=1S/C24H40N2O2/c27-24(25-18-10-9-17-23-15-7-5-8-16-23)28-22-14-4-2-1-3-11-19-26-20-12-6-13-21-26/h5,7-8,15-16H,1-4,6,9-14,17-22H2,(H,25,27)
InChIKeyUPJIPDFFPJOKOY-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.56
Rot. Bonds14

About 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate

8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate (PubChem CID 11825276) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Name8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
PubChem CID11825276
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
SMILESO=C(NCCCCc1ccccc1)OCCCCCCCCN1CCCCC1
InChIInChI=1S/C24H40N2O2/c27-24(25-18-10-9-17-23-15-7-5-8-16-23)28-22-14-4-2-1-3-11-19-26-20-12-6-13-21-26/h5,7-8,15-16H,1-4,6,9-14,17-22H2,(H,25,27)
InChIKeyUPJIPDFFPJOKOY-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Carbamic acid, ((4-phenyl-4-piperidinyl)methyl)-, ethyl ester
CID 55146
4-Cbz-aminopiperidine
CID 1514304
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
butyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 144562558
4-Phenyl-1,3-oxazinan-2-one
CID 12163896
Tmc-49A
CID 10176847

Frequently Asked Questions

What is the IUPAC name of 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate?
The IUPAC name of 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate (CID 11825276) is 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate.
What is the SMILES notation for 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate?
The canonical SMILES for 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate is O=C(NCCCCc1ccccc1)OCCCCCCCCN1CCCCC1.
What is the InChIKey of 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate?
The InChIKey is UPJIPDFFPJOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2/c27-24(25-18-10-9-17-23-15-7-5-8-16-23)28-22-14-4-2-1-3-11-19-26-20-12-6-13-21-26/h5,7-8,15-16H,1-4,6,9-14,17-22H2,(H,25,27).
What are the key properties of 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate?
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate has a molecular weight of 388.60 g/mol, XLogP of 5.56, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 11825276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).