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

C25H36N6O — CID 19357093

IUPAC4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(C2CNCCN2)nc1C
InChIInChI=1S/C25H36N6O/c1-5-20-15-22(24(28-19(20)4)23-16-26-6-7-27-23)29-25(32)31-10-8-30(9-11-31)21-13-17(2)12-18(3)14-21/h12-15,23,26-27H,5-11,16H2,1-4H3,(H,29,32)
InChIKeyKKTSDZWKXXSNGP-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.16
Rot. Bonds4

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

4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 19357093) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID19357093
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(C2CNCCN2)nc1C
InChIInChI=1S/C25H36N6O/c1-5-20-15-22(24(28-19(20)4)23-16-26-6-7-27-23)29-25(32)31-10-8-30(9-11-31)21-13-17(2)12-18(3)14-21/h12-15,23,26-27H,5-11,16H2,1-4H3,(H,29,32)
InChIKeyKKTSDZWKXXSNGP-UHFFFAOYSA-N
XLogP3.16
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 57027576
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
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-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
CID 18663078
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
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-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide (CID 19357093) is 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(C2CNCCN2)nc1C.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is KKTSDZWKXXSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-5-20-15-22(24(28-19(20)4)23-16-26-6-7-27-23)29-25(32)31-10-8-30(9-11-31)21-13-17(2)12-18(3)14-21/h12-15,23,26-27H,5-11,16H2,1-4H3,(H,29,32).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(5-ethyl-6-methyl-2-piperazin-2-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).