methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine

C23H35N5 — CID 158847619

IUPACmethane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESC.CC(C)N1CCN(c2cnc(-c3ccc(N4CCCCC4)cc3)cn2)CC1
InChIInChI=1S/C22H31N5.CH4/c1-18(2)25-12-14-27(15-13-25)22-17-23-21(16-24-22)19-6-8-20(9-7-19)26-10-4-3-5-11-26;/h6-9,16-18H,3-5,10-15H2,1-2H3;1H4
InChIKeyIZAOVNPKJWQPMD-UHFFFAOYSA-N
MW381.57 g/mol
LogP4.30
Rot. Bonds4

About methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine

methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine (PubChem CID 158847619) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Namemethane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
PubChem CID158847619
Molecular FormulaC23H35N5
Molecular Weight381.57 g/mol
Exact Mass381.29
IUPAC Namemethane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESC.CC(C)N1CCN(c2cnc(-c3ccc(N4CCCCC4)cc3)cn2)CC1
InChIInChI=1S/C22H31N5.CH4/c1-18(2)25-12-14-27(15-13-25)22-17-23-21(16-24-22)19-6-8-20(9-7-19)26-10-4-3-5-11-26;/h6-9,16-18H,3-5,10-15H2,1-2H3;1H4
InChIKeyIZAOVNPKJWQPMD-UHFFFAOYSA-N
XLogP4.30
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106
1-(5-phenylpyrazin-2-yl)azepane
CID 166601448
2-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 58006648
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
2,5-di(piperidin-1-yl)pyridine
CID 56695292
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
1-[5-[4-[4-(chloromethyl)phenyl]imidazol-1-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 174680396
2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
CID 146252770
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041

Frequently Asked Questions

What is the IUPAC name of methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine (CID 158847619) is methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine is C.CC(C)N1CCN(c2cnc(-c3ccc(N4CCCCC4)cc3)cn2)CC1.
What is the InChIKey of methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is IZAOVNPKJWQPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5.CH4/c1-18(2)25-12-14-27(15-13-25)22-17-23-21(16-24-22)19-6-8-20(9-7-19)26-10-4-3-5-11-26;/h6-9,16-18H,3-5,10-15H2,1-2H3;1H4.
What are the key properties of methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine?
methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 381.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 158847619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).