1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide

C12H16N2O3 — CID 32823446

IUPAC1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H16N2O3/c1-8-4-7-17-10(8)12(16)14-5-2-9(3-6-14)11(13)15/h4,7,9H,2-3,5-6H2,1H3,(H2,13,15)
InChIKeyQVRYHTXJNNSSQD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds2

About 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide

1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide (PubChem CID 32823446) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
PubChem CID32823446
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H16N2O3/c1-8-4-7-17-10(8)12(16)14-5-2-9(3-6-14)11(13)15/h4,7,9H,2-3,5-6H2,1H3,(H2,13,15)
InChIKeyQVRYHTXJNNSSQD-UHFFFAOYSA-N
XLogP0.93
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
CID 129343325
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63337657
4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
CID 79674751
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylfuran-2-yl)methanone
CID 98894959
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
(1,1-dioxo-1,4-thiazepan-4-yl)-(3-methylfuran-2-yl)methanone
CID 138992019

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide (CID 32823446) is 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide is Cc1ccoc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is QVRYHTXJNNSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-7-17-10(8)12(16)14-5-2-9(3-6-14)11(13)15/h4,7,9H,2-3,5-6H2,1H3,(H2,13,15).
What are the key properties of 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide?
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 32823446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).