N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

C20H22N6O2 — CID 113135076

IUPACN-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N6O2/c1-16(27)26(18-5-3-17(15-21)4-6-18)10-7-19(28)24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2-6,8-9H,7,10-14H2,1H3
InChIKeyLPULCUSFQIQDJU-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.44
Rot. Bonds5

About N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 113135076) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID113135076
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N6O2/c1-16(27)26(18-5-3-17(15-21)4-6-18)10-7-19(28)24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2-6,8-9H,7,10-14H2,1H3
InChIKeyLPULCUSFQIQDJU-UHFFFAOYSA-N
XLogP1.44
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127238
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
4-[[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]methyl]benzonitrile
CID 119108490
4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]benzonitrile
CID 109004969
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117515

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 113135076) is N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is LPULCUSFQIQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-16(27)26(18-5-3-17(15-21)4-6-18)10-7-19(28)24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2-6,8-9H,7,10-14H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113135076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).