4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid

C25H48N2O4 — CID 19807175

IUPAC4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C25H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24(28)31-23-18-21-27(22-19-23)25(29)30/h23H,2-22H2,1H3,(H,26,28)(H,29,30)
InChIKeyRXHZSSDXGLWLGW-UHFFFAOYSA-N
MW440.67 g/mol
LogP7.12
Rot. Bonds18

About 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid

4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 19807175) has the molecular formula C25H48N2O4 and a molecular weight of 440.67 g/mol. Its IUPAC name is 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID19807175
Molecular FormulaC25H48N2O4
Molecular Weight440.67 g/mol
Exact Mass440.36
IUPAC Name4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C25H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24(28)31-23-18-21-27(22-19-23)25(29)30/h23H,2-22H2,1H3,(H,26,28)(H,29,30)
InChIKeyRXHZSSDXGLWLGW-UHFFFAOYSA-N
XLogP7.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 57.12
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

6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
CID 2729096
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octylcarbamic acid
CID 447605
acetic acid;6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
CID 2729095
(1-methylpiperidin-4-yl) N-ethylcarbamate
CID 15229088
3-(Dimethylamino)propyl 2-[2-(octadecylamino)ethyl]piperidine-1-carboxylate
CID 18789477
4-(Methylcarbamoyloxy)piperidine-1-carboxylic acid
CID 18952352
hexadecyl N-[2-(4-hydroxypiperidin-1-yl)ethyl]carbamate
CID 18968656
4-(Octylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807178
4-(Butylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807181
4-(Dodecylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807183
[2-methoxy-3-(2-piperidin-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate;hydrochloride
CID 19829179
[2-methoxy-3-(2-piperidin-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate
CID 19829180

Frequently Asked Questions

What is the IUPAC name of 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid (CID 19807175) is 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is RXHZSSDXGLWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24(28)31-23-18-21-27(22-19-23)25(29)30/h23H,2-22H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 440.67 g/mol, XLogP of 7.12, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octadecylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 19807175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).