[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate

C32H62N4O4 — CID 151563787

IUPAC[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1COC(=O)NCCN1CCOCC1
InChIInChI=1S/C32H62N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-33-31(37)36-23-19-17-20-30(36)29-40-32(38)34-22-24-35-25-27-39-28-26-35/h30H,2-29H2,1H3,(H,33,37)(H,34,38)
InChIKeyQCZQGYQFBZZLRS-UHFFFAOYSA-N
MW566.87 g/mol
LogP6.87
Rot. Bonds22

About [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate

[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 151563787) has the molecular formula C32H62N4O4 and a molecular weight of 566.87 g/mol. Its IUPAC name is [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Name[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
PubChem CID151563787
Molecular FormulaC32H62N4O4
Molecular Weight566.87 g/mol
Exact Mass566.48
IUPAC Name[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1COC(=O)NCCN1CCOCC1
InChIInChI=1S/C32H62N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-33-31(37)36-23-19-17-20-30(36)29-40-32(38)34-22-24-35-25-27-39-28-26-35/h30H,2-29H2,1H3,(H,33,37)(H,34,38)
InChIKeyQCZQGYQFBZZLRS-UHFFFAOYSA-N
XLogP6.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.87
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate
CID 139843228
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
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
[6-(2-piperidin-1-ylethylcarbamoyl)cyclohex-3-en-1-yl]methyl N-octadecylcarbamate
CID 21266136
3-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108944029
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376

Frequently Asked Questions

What is the IUPAC name of [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate (CID 151563787) is [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1COC(=O)NCCN1CCOCC1.
What is the InChIKey of [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is QCZQGYQFBZZLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-33-31(37)36-23-19-17-20-30(36)29-40-32(38)34-22-24-35-25-27-39-28-26-35/h30H,2-29H2,1H3,(H,33,37)(H,34,38).
What are the key properties of [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate?
[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 566.87 g/mol, XLogP of 6.87, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 151563787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).