N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C19H21ClN4O2 — CID 44760722

IUPACN-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O2/c20-15-4-3-5-16(14-15)22-18(25)7-8-19(26)24-12-10-23(11-13-24)17-6-1-2-9-21-17/h1-6,9,14H,7-8,10-13H2,(H,22,25)
InChIKeyNJDRQOYANAPXEP-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.80
Rot. Bonds5

About N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 44760722) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID44760722
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O2/c20-15-4-3-5-16(14-15)22-18(25)7-8-19(26)24-12-10-23(11-13-24)17-6-1-2-9-21-17/h1-6,9,14H,7-8,10-13H2,(H,22,25)
InChIKeyNJDRQOYANAPXEP-UHFFFAOYSA-N
XLogP2.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 53005028
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
[2-(3-chloroanilino)pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109262201
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 1396983
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111357667
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 44760722) is N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is NJDRQOYANAPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-4-3-5-16(14-15)22-18(25)7-8-19(26)24-12-10-23(11-13-24)17-6-1-2-9-21-17/h1-6,9,14H,7-8,10-13H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 372.86 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 44760722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).