1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide

C15H18N4O3 — CID 165343506

IUPAC1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1ccco1)c1cn[nH]c1
InChIInChI=1S/C15H18N4O3/c1-18(11-9-16-17-10-11)14(20)12-5-2-3-7-19(12)15(21)13-6-4-8-22-13/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyWDLORLFRAISRPF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.66
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide (PubChem CID 165343506) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
PubChem CID165343506
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1ccco1)c1cn[nH]c1
InChIInChI=1S/C15H18N4O3/c1-18(11-9-16-17-10-11)14(20)12-5-2-3-7-19(12)15(21)13-6-4-8-22-13/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyWDLORLFRAISRPF-UHFFFAOYSA-N
XLogP1.66
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119551072
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 55973868
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide (CID 165343506) is 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide is CN(C(=O)C1CCCCN1C(=O)c1ccco1)c1cn[nH]c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide?
The InChIKey is WDLORLFRAISRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18(11-9-16-17-10-11)14(20)12-5-2-3-7-19(12)15(21)13-6-4-8-22-13/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 165343506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).