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

C19H22ClN5O2 — CID 113127238

IUPACN-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2/c1-15(26)25(17-5-2-4-16(20)14-17)9-6-18(27)23-10-12-24(13-11-23)19-21-7-3-8-22-19/h2-5,7-8,14H,6,9-13H2,1H3
InChIKeyNQEZUMQXXCTMNA-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.22
Rot. Bonds5

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

N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 113127238) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID113127238
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2/c1-15(26)25(17-5-2-4-16(20)14-17)9-6-18(27)23-10-12-24(13-11-23)19-21-7-3-8-22-19/h2-5,7-8,14H,6,9-13H2,1H3
InChIKeyNQEZUMQXXCTMNA-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384
N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135076
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117515
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
3-(3-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 3477778

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 113127238) is N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is NQEZUMQXXCTMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-15(26)25(17-5-2-4-16(20)14-17)9-6-18(27)23-10-12-24(13-11-23)19-21-7-3-8-22-19/h2-5,7-8,14H,6,9-13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113127238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).