1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one

C21H23ClN4O — CID 95754598

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
SMILESCc1ccc2c(cnn2CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H23ClN4O/c1-16-2-7-20-17(14-16)15-23-26(20)9-8-21(27)25-12-10-24(11-13-25)19-5-3-18(22)4-6-19/h2-7,14-15H,8-13H2,1H3
InChIKeyPCJHGOLIGQEHJG-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one (PubChem CID 95754598) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
PubChem CID95754598
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
SMILESCc1ccc2c(cnn2CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H23ClN4O/c1-16-2-7-20-17(14-16)15-23-26(20)9-8-21(27)25-12-10-24(11-13-25)19-5-3-18(22)4-6-19/h2-7,14-15H,8-13H2,1H3
InChIKeyPCJHGOLIGQEHJG-UHFFFAOYSA-N
XLogP3.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 95754600
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95751410
1-(5-methylindazol-1-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
CID 22510415
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066086
(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 100815599
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4280734
1-(2,6-dimethylmorpholin-4-yl)-3-(6-methylindazol-1-yl)propan-1-one
CID 75767368
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one (CID 95754598) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one is Cc1ccc2c(cnn2CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one?
The InChIKey is PCJHGOLIGQEHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-16-2-7-20-17(14-16)15-23-26(20)9-8-21(27)25-12-10-24(11-13-25)19-5-3-18(22)4-6-19/h2-7,14-15H,8-13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one?
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one has a molecular weight of 382.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one is sourced from PubChem (CID 95754598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).