3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one

C25H29ClN4O — CID 134130594

IUPAC3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-9-11-23(12-10-22)29-17-15-28(16-18-29)13-5-2-6-14-30-20-27-24(19-25(30)31)21-7-3-1-4-8-21/h1,3-4,7-12,19-20H,2,5-6,13-18H2
InChIKeyVIBPMRINJNDJKI-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.56
Rot. Bonds8

About 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one

3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one (PubChem CID 134130594) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
PubChem CID134130594
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClN4O/c26-22-9-11-23(12-10-22)29-17-15-28(16-18-29)13-5-2-6-14-30-20-27-24(19-25(30)31)21-7-3-1-4-8-21/h1,3-4,7-12,19-20H,2,5-6,13-18H2
InChIKeyVIBPMRINJNDJKI-UHFFFAOYSA-N
XLogP4.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 5242341
7-chloro-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 20854354
1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-1H-quinolin-2-one
CID 44298932
3-(4-(4-(4-chlorophenyl)-1-piperazinyl)butyl)quinazolin-4(3H)-one
CID 44436304
3-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-4(3H)-quinazolinone
CID 45482890
3-[5-[4-(3-Chlorophenyl)piperazin-1-yl]pentyl]quinazolin-4-one
CID 118728523
3-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]quinazolin-4-one
CID 118728524
6-Phenyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]pyrimidin-4-one
CID 134130379
3-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]-2-methylquinazolin-4-one
CID 134130846
3-[5-[4-(3-Chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
CID 134131147

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one (CID 134130594) is 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one is O=c1cc(-c2ccccc2)ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one?
The InChIKey is VIBPMRINJNDJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-22-9-11-23(12-10-22)29-17-15-28(16-18-29)13-5-2-6-14-30-20-27-24(19-25(30)31)21-7-3-1-4-8-21/h1,3-4,7-12,19-20H,2,5-6,13-18H2.
What are the key properties of 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one?
3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one has a molecular weight of 436.99 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 134130594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).