N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H21N3O5 — CID 20506465

IUPACN-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1OC
InChIInChI=1S/C18H21N3O5/c1-24-14-6-3-5-13(16(14)25-2)19-18(23)21-10-8-20(9-11-21)17(22)15-7-4-12-26-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)
InChIKeyBMWLXNDQIZNNCP-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.29
Rot. Bonds4

About N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 20506465) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID20506465
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1OC
InChIInChI=1S/C18H21N3O5/c1-24-14-6-3-5-13(16(14)25-2)19-18(23)21-10-8-20(9-11-21)17(22)15-7-4-12-26-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)
InChIKeyBMWLXNDQIZNNCP-UHFFFAOYSA-N
XLogP2.29
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60590217
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
N-(2,3-dimethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335412
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946870
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 20506465) is N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is BMWLXNDQIZNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-24-14-6-3-5-13(16(14)25-2)19-18(23)21-10-8-20(9-11-21)17(22)15-7-4-12-26-15/h3-7,12H,8-11H2,1-2H3,(H,19,23).
What are the key properties of N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 20506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).