N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C19H21FN4O2 — CID 167812738

IUPACN-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H21FN4O2/c1-13(25)22-12-18(26)24-9-6-14(7-10-24)19-21-8-5-17(23-19)15-3-2-4-16(20)11-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,25)
InChIKeyDBDNZWJVLMJPAX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.12
Rot. Bonds4

About N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 167812738) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID167812738
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H21FN4O2/c1-13(25)22-12-18(26)24-9-6-14(7-10-24)19-21-8-5-17(23-19)15-3-2-4-16(20)11-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,25)
InChIKeyDBDNZWJVLMJPAX-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]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

4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154788057
N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110240112
N-(2-bromo-5-methylphenyl)-3-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide
CID 166345516
3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 154763839
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819548
N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 74248478
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819712
N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
CID 138056951
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide
CID 41419981
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 167812738) is N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is DBDNZWJVLMJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13(25)22-12-18(26)24-9-6-14(7-10-24)19-21-8-5-17(23-19)15-3-2-4-16(20)11-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 167812738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).