[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C19H22N4O3 — CID 70740198

IUPAC[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cnc(C)nc3C)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-13-17(12-20-14(2)21-13)19(25)23-9-7-22(8-10-23)18(24)15-5-4-6-16(11-15)26-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyNXXJWKJEZHTUPP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.70
Rot. Bonds3

About [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 70740198) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID70740198
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cnc(C)nc3C)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-13-17(12-20-14(2)21-13)19(25)23-9-7-22(8-10-23)18(24)15-5-4-6-16(11-15)26-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyNXXJWKJEZHTUPP-UHFFFAOYSA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110710958
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 70740198) is [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3cnc(C)nc3C)CC2)c1.
What is the InChIKey of [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is NXXJWKJEZHTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-17(12-20-14(2)21-13)19(25)23-9-7-22(8-10-23)18(24)15-5-4-6-16(11-15)26-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 354.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 70740198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).