4-(butylcarbamoyloxy)piperidine-1-carboxylic acid

C11H20N2O4 — CID 19807181

IUPAC4-(butylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-3-6-12-10(14)17-9-4-7-13(8-5-9)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyKMLIYNOYDJDMBQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.66
Rot. Bonds4

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

4-(butylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 19807181) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(butylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID19807181
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(butylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-3-6-12-10(14)17-9-4-7-13(8-5-9)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyKMLIYNOYDJDMBQ-UHFFFAOYSA-N
XLogP1.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.66
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

tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
CID 72108010
1-methylpiperidin-4-yl N-methylcarbamate
CID 15229087
Piperidin-4-yl ethylcarbamate
CID 20569908
Tert-butyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 25219681
6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
CID 2729096
Piperidin-4-yl dimethylcarbamate
CID 21616656
piperidin-4-yl N,N-dimethylcarbamate hydrochloride
CID 119032139
(3,3-difluoro-1-propan-2-ylpiperidin-4-yl) N-ethylcarbamate
CID 168189520
(3,3-difluoro-1-propan-2-ylpiperidin-4-yl) N-ethylcarbamate;molecular hydrogen
CID 168190378
piperidin-4-yl N-(2-fluoroethyl)carbamate
CID 172213323
Propan-2-yl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate
CID 212377
2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate
CID 167847430

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid (CID 19807181) is 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is KMLIYNOYDJDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-6-12-10(14)17-9-4-7-13(8-5-9)11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(butylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 19807181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).