(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

C19H24N4O2 — CID 2811138

IUPAC(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C19H24N4O2/c1-3-4-15-13-20-19(21-14-15)23-11-9-22(10-12-23)18(24)16-5-7-17(25-2)8-6-16/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeySWIMQUBMJGHZHJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds5

About (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 2811138) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID2811138
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C19H24N4O2/c1-3-4-15-13-20-19(21-14-15)23-11-9-22(10-12-23)18(24)16-5-7-17(25-2)8-6-16/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeySWIMQUBMJGHZHJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 70715600
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 2811138) is (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is CCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is SWIMQUBMJGHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-15-13-20-19(21-14-15)23-11-9-22(10-12-23)18(24)16-5-7-17(25-2)8-6-16/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2811138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).