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

C19H22N4O2 — CID 124978298

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyLSWVMZYZMIEWIX-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds4

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

(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 124978298) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID124978298
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyLSWVMZYZMIEWIX-KRWDZBQOSA-N
XLogP2.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 124978298) is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LSWVMZYZMIEWIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).