3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide

C12H16N2O4 — CID 128964564

IUPAC3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)co1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(6-18-8)10(15)14-4-2-3-12(17,7-14)11(13)16/h5-6,17H,2-4,7H2,1H3,(H2,13,16)
InChIKeyAEHZNFSPWWOYPL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds2

About 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide

3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide (PubChem CID 128964564) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
PubChem CID128964564
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)co1
InChIInChI=1S/C12H16N2O4/c1-8-5-9(6-18-8)10(15)14-4-2-3-12(17,7-14)11(13)16/h5-6,17H,2-4,7H2,1H3,(H2,13,16)
InChIKeyAEHZNFSPWWOYPL-UHFFFAOYSA-N
XLogP0.04
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
3-hydroxy-1-(2-propan-2-ylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128988923
1-(2-ethylfuran-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964618
(3S)-3-hydroxy-1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 129485829
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide (CID 128964564) is 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)co1.
What is the InChIKey of 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is AEHZNFSPWWOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-5-9(6-18-8)10(15)14-4-2-3-12(17,7-14)11(13)16/h5-6,17H,2-4,7H2,1H3,(H2,13,16).
What are the key properties of 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide?
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 128964564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).