N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

C25H27N3O3 — CID 9154613

IUPACN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H27N3O3/c1-17-6-4-7-22(19(17)3)27-11-13-28(14-12-27)25(30)20-10-9-18(2)21(16-20)26-24(29)23-8-5-15-31-23/h4-10,15-16H,11-14H2,1-3H3,(H,26,29)
InChIKeyHOGLBNYZAHPOBN-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.42
Rot. Bonds4

About N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 9154613) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID9154613
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H27N3O3/c1-17-6-4-7-22(19(17)3)27-11-13-28(14-12-27)25(30)20-10-9-18(2)21(16-20)26-24(29)23-8-5-15-31-23/h4-10,15-16H,11-14H2,1-3H3,(H,26,29)
InChIKeyHOGLBNYZAHPOBN-UHFFFAOYSA-N
XLogP4.42
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)phenyl]furan-2-carboxamide
CID 71234531
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 2237334
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
2-[3-(furan-2-carbonylamino)-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71234204
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (CID 9154613) is N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is HOGLBNYZAHPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-6-4-7-22(19(17)3)27-11-13-28(14-12-27)25(30)20-10-9-18(2)21(16-20)26-24(29)23-8-5-15-31-23/h4-10,15-16H,11-14H2,1-3H3,(H,26,29).
What are the key properties of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 9154613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).