2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate

C34H66N4O4 — CID 142636015

IUPAC2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCCC1O
InChIInChI=1S/C34H66N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-35-33(40)38-29-19-17-22-31(38)24-30-42-34(41)36-26-21-28-37-27-20-23-32(37)39/h31-32,39H,2-30H2,1H3,(H,35,40)(H,36,41)
InChIKeySVYVCHNKKITLOD-UHFFFAOYSA-N
MW594.93 g/mol
LogP7.73
Rot. Bonds24

About 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate

2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate (PubChem CID 142636015) has the molecular formula C34H66N4O4 and a molecular weight of 594.93 g/mol. Its IUPAC name is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
PubChem CID142636015
Molecular FormulaC34H66N4O4
Molecular Weight594.93 g/mol
Exact Mass594.51
IUPAC Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCCC1O
InChIInChI=1S/C34H66N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-35-33(40)38-29-19-17-22-31(38)24-30-42-34(41)36-26-21-28-37-27-20-23-32(37)39/h31-32,39H,2-30H2,1H3,(H,35,40)(H,36,41)
InChIKeySVYVCHNKKITLOD-UHFFFAOYSA-N
XLogP7.73
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.93
LogP ≤ 57.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(5-pyrrolidin-1-ylpentyl)carbamate
CID 18789458
2-[1-[3-(dimethylamino)propylcarbamoyl]piperidin-2-yl]ethyl N-octadecylcarbamate
CID 18789453
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
CID 151563787
2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
CID 57112037
octadecyl 2-[2-[3-(dimethylamino)propylcarbamoyloxy]ethyl]piperidine-1-carboxylate;hydrochloride
CID 18789378
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
2-[4-acetamido-1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 18789449
2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 54170141
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
CID 57049315

Frequently Asked Questions

What is the IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate (CID 142636015) is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCCC1O.
What is the InChIKey of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate?
The InChIKey is SVYVCHNKKITLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-35-33(40)38-29-19-17-22-31(38)24-30-42-34(41)36-26-21-28-37-27-20-23-32(37)39/h31-32,39H,2-30H2,1H3,(H,35,40)(H,36,41).
What are the key properties of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate?
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate has a molecular weight of 594.93 g/mol, XLogP of 7.73, 24 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 142636015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).