4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide

C25H36N6O3 — CID 57027576

IUPAC4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(N2CCNCC2)nc1C
InChIInChI=1S/C25H36N6O3/c1-5-19-14-23(24(27-18(19)2)30-8-6-26-7-9-30)28-25(32)31-12-10-29(11-13-31)20-15-21(33-3)17-22(16-20)34-4/h14-17,26H,5-13H2,1-4H3,(H,28,32)
InChIKeyWOSJWBZINOVGBB-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.73
Rot. Bonds6

About 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide

4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 57027576) has the molecular formula C25H36N6O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID57027576
Molecular FormulaC25H36N6O3
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC Name4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(N2CCNCC2)nc1C
InChIInChI=1S/C25H36N6O3/c1-5-19-14-23(24(27-18(19)2)30-8-6-26-7-9-30)28-25(32)31-12-10-29(11-13-31)20-15-21(33-3)17-22(16-20)34-4/h14-17,26H,5-13H2,1-4H3,(H,28,32)
InChIKeyWOSJWBZINOVGBB-UHFFFAOYSA-N
XLogP2.73
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carbothioamide
CID 54396849
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 19357093
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
CID 18663078
4-(3,5-dimethoxyphenyl)-N-(2-methoxy-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 142633781

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide (CID 57027576) is 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(N2CCNCC2)nc1C.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is WOSJWBZINOVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O3/c1-5-19-14-23(24(27-18(19)2)30-8-6-26-7-9-30)28-25(32)31-12-10-29(11-13-31)20-15-21(33-3)17-22(16-20)34-4/h14-17,26H,5-13H2,1-4H3,(H,28,32).
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 57027576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).