[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C22H27N5O2 — CID 18133999

IUPAC[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C22H27N5O2/c1-17-4-2-3-5-19(17)22(29)26-10-6-18(7-11-26)21(28)27-14-12-25(13-15-27)20-16-23-8-9-24-20/h2-5,8-9,16,18H,6-7,10-15H2,1H3
InChIKeyXXZCUZNBDKTLFD-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.99
Rot. Bonds3

About [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 18133999) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID18133999
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C22H27N5O2/c1-17-4-2-3-5-19(17)22(29)26-10-6-18(7-11-26)21(28)27-14-12-25(13-15-27)20-16-23-8-9-24-20/h2-5,8-9,16,18H,6-7,10-15H2,1H3
InChIKeyXXZCUZNBDKTLFD-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 18133999) is [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XXZCUZNBDKTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17-4-2-3-5-19(17)22(29)26-10-6-18(7-11-26)21(28)27-14-12-25(13-15-27)20-16-23-8-9-24-20/h2-5,8-9,16,18H,6-7,10-15H2,1H3.
What are the key properties of [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18133999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).