1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one

C20H24N4O3 — CID 118784345

IUPAC1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
SMILESCCCc1ncncc1C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C20H24N4O3/c1-3-5-18-17(11-21-14-22-18)20(26)24-9-8-23(19(25)13-24)12-15-6-4-7-16(10-15)27-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3
InChIKeyGWQXJNIJHBALJA-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.92
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one

1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one (PubChem CID 118784345) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
PubChem CID118784345
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
SMILESCCCc1ncncc1C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C20H24N4O3/c1-3-5-18-17(11-21-14-22-18)20(26)24-9-8-23(19(25)13-24)12-15-6-4-7-16(10-15)27-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3
InChIKeyGWQXJNIJHBALJA-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-5-carboxylic acid
CID 102974227
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
4-[2-(5-aminotetrazol-1-yl)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 86284780
4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103239885
4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56896768
1-[(3-methoxyphenyl)methyl]-4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-2-one
CID 171386257
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one (CID 118784345) is 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one is CCCc1ncncc1C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The InChIKey is GWQXJNIJHBALJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-5-18-17(11-21-14-22-18)20(26)24-9-8-23(19(25)13-24)12-15-6-4-7-16(10-15)27-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 118784345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).