2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C17H19ClN4O — CID 73258464

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)N=C2CCCC12
InChIInChI=1S/C17H19ClN4O/c18-12-3-1-4-13(11-12)21-7-9-22(10-8-21)17-19-15-6-2-5-14(15)16(23)20-17/h1,3-4,11,14H,2,5-10H2
InChIKeyHRRQLMWLTVBMDF-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.60
Rot. Bonds1

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 73258464) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID73258464
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)N=C2CCCC12
InChIInChI=1S/C17H19ClN4O/c18-12-3-1-4-13(11-12)21-7-9-22(10-8-21)17-19-15-6-2-5-14(15)16(23)20-17/h1,3-4,11,14H,2,5-10H2
InChIKeyHRRQLMWLTVBMDF-UHFFFAOYSA-N
XLogP2.60
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
1-(3-chlorophenyl)azonane
CID 145391535
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
1-(3-chlorophenyl)-4-(cyclohexylmethyl)piperazin-4-ium
CID 6938406
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 3021275
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 73258464) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)N=C2CCCC12.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is HRRQLMWLTVBMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-12-3-1-4-13(11-12)21-7-9-22(10-8-21)17-19-15-6-2-5-14(15)16(23)20-17/h1,3-4,11,14H,2,5-10H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 330.82 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 73258464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).