5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one

C22H22N4O2 — CID 92648682

IUPAC5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-21-19(15-23-20(24-21)18-9-5-2-6-10-18)22(28)26-13-11-25(12-14-26)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,27)
InChIKeyLGMPTKUXVZNBAE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.39
Rot. Bonds4

About 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one

5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 92648682) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID92648682
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-21-19(15-23-20(24-21)18-9-5-2-6-10-18)22(28)26-13-11-25(12-14-26)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,27)
InChIKeyLGMPTKUXVZNBAE-UHFFFAOYSA-N
XLogP2.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648941
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72908260
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(4-benzylpiperazin-1-yl)-(2-chloro-3-fluoro-4-pyridinyl)methanone
CID 110853109

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one (CID 92648682) is 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one is O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is LGMPTKUXVZNBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21-19(15-23-20(24-21)18-9-5-2-6-10-18)22(28)26-13-11-25(12-14-26)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,27).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one?
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 374.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 92648682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).