2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate

C27H53N3O3 — CID 18789468

IUPAC2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(N)=O
InChIInChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-29-27(32)30-23-19-17-20-25(30)21-24-33-26(28)31/h25H,2-24H2,1H3,(H2,28,31)(H,29,32)
InChIKeyNDCPPKIOXDELER-UHFFFAOYSA-N
MW467.74 g/mol
LogP7.30
Rot. Bonds20

About 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate

2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate (PubChem CID 18789468) has the molecular formula C27H53N3O3 and a molecular weight of 467.74 g/mol. Its IUPAC name is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
PubChem CID18789468
Molecular FormulaC27H53N3O3
Molecular Weight467.74 g/mol
Exact Mass467.41
IUPAC Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(N)=O
InChIInChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-29-27(32)30-23-19-17-20-25(30)21-24-33-26(28)31/h25H,2-24H2,1H3,(H2,28,31)(H,29,32)
InChIKeyNDCPPKIOXDELER-UHFFFAOYSA-N
XLogP7.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
CID 142636015
2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
CID 57112037
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
CID 83204570
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
octadecyl 2-[2-[3-(dimethylamino)propylcarbamoyloxy]ethyl]piperidine-1-carboxylate;hydrochloride
CID 18789378
[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
CID 151563787
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate?
The IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate (CID 18789468) is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate.
What is the SMILES notation for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate?
The canonical SMILES for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(N)=O.
What is the InChIKey of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate?
The InChIKey is NDCPPKIOXDELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-29-27(32)30-23-19-17-20-25(30)21-24-33-26(28)31/h25H,2-24H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate?
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate has a molecular weight of 467.74 g/mol, XLogP of 7.30, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate is sourced from PubChem (CID 18789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).