2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

C19H29ClN4O — CID 46055863

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H29ClN4O/c1-3-21-8-10-24(11-9-21)19(25)16(2)22-12-14-23(15-13-22)18-6-4-17(20)5-7-18/h4-7,16H,3,8-15H2,1-2H3
InChIKeyNSIQPDCLSCNULV-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 46055863) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID46055863
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H29ClN4O/c1-3-21-8-10-24(11-9-21)19(25)16(2)22-12-14-23(15-13-22)18-6-4-17(20)5-7-18/h4-7,16H,3,8-15H2,1-2H3
InChIKeyNSIQPDCLSCNULV-UHFFFAOYSA-N
XLogP2.01
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107022223
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78823408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 46055863) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)N2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is NSIQPDCLSCNULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-3-21-8-10-24(11-9-21)19(25)16(2)22-12-14-23(15-13-22)18-6-4-17(20)5-7-18/h4-7,16H,3,8-15H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 364.92 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 46055863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).