[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate

C24H29N5O2 — CID 11750489

IUPAC[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4cn(C)cn4)CC3)cc2)nc1
InChIInChI=1S/C24H29N5O2/c1-19-3-6-21(25-16-19)15-20-4-7-23(8-5-20)31-24(30)29-13-11-28(12-14-29)10-9-22-17-27(2)18-26-22/h3-8,16-18H,9-15H2,1-2H3
InChIKeyVSTCBUGONBESLB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.07
Rot. Bonds6

About [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate

[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate (PubChem CID 11750489) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
PubChem CID11750489
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4cn(C)cn4)CC3)cc2)nc1
InChIInChI=1S/C24H29N5O2/c1-19-3-6-21(25-16-19)15-20-4-7-23(8-5-20)31-24(30)29-13-11-28(12-14-29)10-9-22-17-27(2)18-26-22/h3-8,16-18H,9-15H2,1-2H3
InChIKeyVSTCBUGONBESLB-UHFFFAOYSA-N
XLogP3.07
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-(2-pyridin-3-ylethyl)piperazine-1-carboxylate
CID 11475555
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate
CID 11327227
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 11784802
[4-[1H-imidazol-2-yl(sulfanyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 87940573
[4-[2-(5-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 57456182
[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)-3-pyridinyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57456052
[5-[tert-butylcarbamoyl(sulfanyl)amino]-2-pyridinyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57464148
[4-[(4-methyl-2-pyridinyl)methyl]phenyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 11429659
[4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate
CID 57456083
2-[6-[4-[4-(pyridin-2-ylmethyl)phenoxy]carbonylpiperazin-1-yl]-3-pyridinyl]acetic acid
CID 11362484
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
CID 20791668
phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110395770

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate (CID 11750489) is [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate is Cc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4cn(C)cn4)CC3)cc2)nc1.
What is the InChIKey of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is VSTCBUGONBESLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-19-3-6-21(25-16-19)15-20-4-7-23(8-5-20)31-24(30)29-13-11-28(12-14-29)10-9-22-17-27(2)18-26-22/h3-8,16-18H,9-15H2,1-2H3.
What are the key properties of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate?
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 419.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 11750489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).