N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

C19H21F2N5O2 — CID 113135384

IUPACN-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H21F2N5O2/c1-14(27)26(18-15(20)4-2-5-16(18)21)9-6-17(28)24-10-12-25(13-11-24)19-22-7-3-8-23-19/h2-5,7-8H,6,9-13H2,1H3
InChIKeyOARHZPSRWDYNEM-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.85
Rot. Bonds5

About N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 113135384) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID113135384
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H21F2N5O2/c1-14(27)26(18-15(20)4-2-5-16(18)21)9-6-17(28)24-10-12-25(13-11-24)19-22-7-3-8-23-19/h2-5,7-8H,6,9-13H2,1H3
InChIKeyOARHZPSRWDYNEM-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127238
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135076
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117515
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 113135384) is N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)c1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is OARHZPSRWDYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-14(27)26(18-15(20)4-2-5-16(18)21)9-6-17(28)24-10-12-25(13-11-24)19-22-7-3-8-23-19/h2-5,7-8H,6,9-13H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113135384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).