1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide

C18H25N5O3 — CID 72918464

IUPAC1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCCn1cc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(C)n1
InChIInChI=1S/C18H25N5O3/c1-3-23-12-16(13(2)21-23)20-18(25)22-8-6-14(7-9-22)17(24)19-11-15-5-4-10-26-15/h4-5,10,12,14H,3,6-9,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyLKEYLOSBXKYMEI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.36
Rot. Bonds5

About 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide

1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 72918464) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID72918464
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCCn1cc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(C)n1
InChIInChI=1S/C18H25N5O3/c1-3-23-12-16(13(2)21-23)20-18(25)22-8-6-14(7-9-22)17(24)19-11-15-5-4-10-26-15/h4-5,10,12,14H,3,6-9,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyLKEYLOSBXKYMEI-UHFFFAOYSA-N
XLogP2.36
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-3-methylpyrazol-4-amine
CID 19626815
1-N-[(1-ethylcyclobutyl)methyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 75377699
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642816
3-[[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17373864
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide (CID 72918464) is 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide is CCn1cc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(C)n1.
What is the InChIKey of 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is LKEYLOSBXKYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-23-12-16(13(2)21-23)20-18(25)22-8-6-14(7-9-22)17(24)19-11-15-5-4-10-26-15/h4-5,10,12,14H,3,6-9,11H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 72918464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).