[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate

C24H27N5O2 — CID 57456170

IUPAC[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate
SMILESCc1cccnc1CCc1ccc(OC(=O)N2CCN(Cc3cnccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-19-3-2-10-27-23(19)9-6-20-4-7-22(8-5-20)31-24(30)29-15-13-28(14-16-29)18-21-17-25-11-12-26-21/h2-5,7-8,10-12,17H,6,9,13-16,18H2,1H3
InChIKeyMFNXPTIDKDPYBH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.28
Rot. Bonds6

About [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate

[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 57456170) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID57456170
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate
SMILESCc1cccnc1CCc1ccc(OC(=O)N2CCN(Cc3cnccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-19-3-2-10-27-23(19)9-6-20-4-7-22(8-5-20)31-24(30)29-15-13-28(14-16-29)18-21-17-25-11-12-26-21/h2-5,7-8,10-12,17H,6,9,13-16,18H2,1H3
InChIKeyMFNXPTIDKDPYBH-UHFFFAOYSA-N
XLogP3.28
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-pyridin-4-ylsulfanylethyl)phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate
CID 57455912
[4-[2-(5-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 57456182
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-(2-pyridin-3-ylethyl)piperazine-1-carboxylate
CID 11475555
[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-[(4-pyridin-2-yloxyphenoxy)methyl]piperidine-1-carboxylate;4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylic acid
CID 159286577
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 57455924
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
1-[4-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyridin-3-ylethanone
CID 138386784
[4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate
CID 57456083
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70736951
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate
CID 11327227

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate (CID 57456170) is [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate is Cc1cccnc1CCc1ccc(OC(=O)N2CCN(Cc3cnccn3)CC2)cc1.
What is the InChIKey of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is MFNXPTIDKDPYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-19-3-2-10-27-23(19)9-6-20-4-7-22(8-5-20)31-24(30)29-15-13-28(14-16-29)18-21-17-25-11-12-26-21/h2-5,7-8,10-12,17H,6,9,13-16,18H2,1H3.
What are the key properties of [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate?
[4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrazin-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 57456170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).