(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H25N7O — CID 122344221

IUPAC(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C19H25N7O/c1-15-13-22-16(14-21-15)18(27)25-11-9-24(10-12-25)17-5-6-20-19(23-17)26-7-3-2-4-8-26/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyIWDQRPMBVPYPAL-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.53
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122344221) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122344221
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1
InChIInChI=1S/C19H25N7O/c1-15-13-22-16(14-21-15)18(27)25-11-9-24(10-12-25)17-5-6-20-19(23-17)26-7-3-2-4-8-26/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyIWDQRPMBVPYPAL-UHFFFAOYSA-N
XLogP1.53
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
(3-fluoro-4-methylphenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344165
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220
(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343791
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318
(5-bromo-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344098
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122344221) is (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is IWDQRPMBVPYPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-15-13-22-16(14-21-15)18(27)25-11-9-24(10-12-25)17-5-6-20-19(23-17)26-7-3-2-4-8-26/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 367.46 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122344221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).