(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate

C32H61N3O4 — CID 139843228

IUPAC(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1COC(=O)NCCCN1CCOCC1
InChIInChI=1S/C32H61N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(36)35-24-18-17-20-30(35)29-39-32(37)33-22-19-23-34-25-27-38-28-26-34/h30H,2-29H2,1H3,(H,33,37)
InChIKeyDQFHSWUOIZXWIJ-UHFFFAOYSA-N
MW551.86 g/mol
LogP7.08
Rot. Bonds22

About (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate

(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate (PubChem CID 139843228) has the molecular formula C32H61N3O4 and a molecular weight of 551.86 g/mol. Its IUPAC name is (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Name(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate
PubChem CID139843228
Molecular FormulaC32H61N3O4
Molecular Weight551.86 g/mol
Exact Mass551.47
IUPAC Name(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1COC(=O)NCCCN1CCOCC1
InChIInChI=1S/C32H61N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(36)35-24-18-17-20-30(35)29-39-32(37)33-22-19-23-34-25-27-38-28-26-34/h30H,2-29H2,1H3,(H,33,37)
InChIKeyDQFHSWUOIZXWIJ-UHFFFAOYSA-N
XLogP7.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.86
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
CID 151563787
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(5-pyrrolidin-1-ylpentyl)carbamate
CID 18789458
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
3-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108944029
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446

Frequently Asked Questions

What is the IUPAC name of (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate?
The IUPAC name of (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate (CID 139843228) is (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate is CCCCCCCCCCCCCCCCCC(=O)N1CCCCC1COC(=O)NCCCN1CCOCC1.
What is the InChIKey of (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate?
The InChIKey is DQFHSWUOIZXWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H61N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(36)35-24-18-17-20-30(35)29-39-32(37)33-22-19-23-34-25-27-38-28-26-34/h30H,2-29H2,1H3,(H,33,37).
What are the key properties of (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate?
(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate has a molecular weight of 551.86 g/mol, XLogP of 7.08, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 139843228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).