4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide

C18H21N3O3 — CID 51276164

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-13-12-16(14(2)24-13)17(22)20-8-10-21(11-9-20)18(23)19-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)
InChIKeyPBAVZUHUJXNVEI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.89
Rot. Bonds2

About 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide

4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 51276164) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
PubChem CID51276164
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-13-12-16(14(2)24-13)17(22)20-8-10-21(11-9-20)18(23)19-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)
InChIKeyPBAVZUHUJXNVEI-UHFFFAOYSA-N
XLogP2.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
CID 47050868
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperazine-1-carboxamide
CID 47050850
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 47050835
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
4-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47050894
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
CID 18552343
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 47050888
4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide
CID 47050915
4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide (CID 51276164) is 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is PBAVZUHUJXNVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-12-16(14(2)24-13)17(22)20-8-10-21(11-9-20)18(23)19-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23).
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide?
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51276164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).