[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid

C11H18N2O4 — CID 156534121

IUPAC[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H18N2O4/c14-10(9-2-1-7-17-9)13-5-3-8(4-6-13)12-11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyUMDKWBWHZYPEIW-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.42
Rot. Bonds2

About [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid

[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid (PubChem CID 156534121) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
PubChem CID156534121
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H18N2O4/c14-10(9-2-1-7-17-9)13-5-3-8(4-6-13)12-11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyUMDKWBWHZYPEIW-UHFFFAOYSA-N
XLogP0.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636

Frequently Asked Questions

What is the IUPAC name of [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid (CID 156534121) is [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid?
The InChIKey is UMDKWBWHZYPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10(9-2-1-7-17-9)13-5-3-8(4-6-13)12-11(15)16/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid?
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid has a molecular weight of 242.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 156534121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).