2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide

C18H19ClN4O2 — CID 44998680

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-15-2-1-3-16(12-15)22-8-10-23(11-9-22)18(25)17(24)21-13-14-4-6-20-7-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyMALXSMLDOCYNBD-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.70
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 44998680) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID44998680
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-15-2-1-3-16(12-15)22-8-10-23(11-9-22)18(25)17(24)21-13-14-4-6-20-7-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyMALXSMLDOCYNBD-UHFFFAOYSA-N
XLogP1.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2-oxoacetamide
CID 108503184
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
N-[(4-chlorophenyl)methyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108507791
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651816
N-(4-amino-3-chlorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108516233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 44998680) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is MALXSMLDOCYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-15-2-1-3-16(12-15)22-8-10-23(11-9-22)18(25)17(24)21-13-14-4-6-20-7-5-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 44998680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).