3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

C18H19ClN4O2 — CID 108536947

IUPAC3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-15-4-1-14(2-5-15)3-6-17(24)22-9-11-23(12-10-22)18(25)16-13-20-7-8-21-16/h1-2,4-5,7-8,13H,3,6,9-12H2
InChIKeyMDSCDEGXSMNZTF-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.05
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 108536947) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID108536947
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-15-4-1-14(2-5-15)3-6-17(24)22-9-11-23(12-10-22)18(25)16-13-20-7-8-21-16/h1-2,4-5,7-8,13H,3,6,9-12H2
InChIKeyMDSCDEGXSMNZTF-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 55862707
3-(4-chlorophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110422121
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110664962
N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813242
3-methoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547814
2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814290
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (CID 108536947) is 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MDSCDEGXSMNZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-15-4-1-14(2-5-15)3-6-17(24)22-9-11-23(12-10-22)18(25)16-13-20-7-8-21-16/h1-2,4-5,7-8,13H,3,6,9-12H2.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 358.83 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108536947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).