4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid

C19H36N2O4 — CID 19807183

IUPAC4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(22)25-17-12-15-21(16-13-17)19(23)24/h17H,2-16H2,1H3,(H,20,22)(H,23,24)
InChIKeyCMRUUKHQRSPSBX-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.78
Rot. Bonds12

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

4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 19807183) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID19807183
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(22)25-17-12-15-21(16-13-17)19(23)24/h17H,2-16H2,1H3,(H,20,22)(H,23,24)
InChIKeyCMRUUKHQRSPSBX-UHFFFAOYSA-N
XLogP4.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.78
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-(Octadecylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807175
4-(Octylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807178
4-(Butylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807181
[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-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid (CID 19807183) is 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is CMRUUKHQRSPSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(22)25-17-12-15-21(16-13-17)19(23)24/h17H,2-16H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 356.51 g/mol, XLogP of 4.78, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 19807183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).