1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C17H22N4O3 — CID 47019411

IUPAC1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H22N4O3/c1-19(10-13-9-18-20(2)11-13)16(22)14-5-3-7-21(12-14)17(23)15-6-4-8-24-15/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3
InChIKeyQIPGZPIXUPZNDP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.52
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 47019411) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID47019411
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H22N4O3/c1-19(10-13-9-18-20(2)11-13)16(22)14-5-3-7-21(12-14)17(23)15-6-4-8-24-15/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3
InChIKeyQIPGZPIXUPZNDP-UHFFFAOYSA-N
XLogP1.52
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
N-[(2-chloro-5-nitrophenyl)methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 42938378
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31985390
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70710902
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 135910064
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 43044196
ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150039
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 47019411) is 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QIPGZPIXUPZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19(10-13-9-18-20(2)11-13)16(22)14-5-3-7-21(12-14)17(23)15-6-4-8-24-15/h4,6,8-9,11,14H,3,5,7,10,12H2,1-2H3.
What are the key properties of 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47019411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).