N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide

C19H21FN4O5 — CID 131927463

IUPACN-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C19H21FN4O5/c20-13-3-5-14(6-4-13)29-11-16(25)21-8-12-2-1-7-24(10-12)18(27)15-9-22-19(28)23-17(15)26/h3-6,9,12H,1-2,7-8,10-11H2,(H,21,25)(H2,22,23,26,28)
InChIKeyDUHBTGTUVSTWOE-UHFFFAOYSA-N
MW404.40 g/mol
LogP0.25
Rot. Bonds6

About N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide

N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 131927463) has the molecular formula C19H21FN4O5 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID131927463
Molecular FormulaC19H21FN4O5
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC NameN-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C19H21FN4O5/c20-13-3-5-14(6-4-13)29-11-16(25)21-8-12-2-1-7-24(10-12)18(27)15-9-22-19(28)23-17(15)26/h3-6,9,12H,1-2,7-8,10-11H2,(H,21,25)(H2,22,23,26,28)
InChIKeyDUHBTGTUVSTWOE-UHFFFAOYSA-N
XLogP0.25
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)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

2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106403
N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
N-[(4-fluorophenyl)methyl]-2-[1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 166376867
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70731720
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552189
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 167955376

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 131927463) is N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is DUHBTGTUVSTWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5/c20-13-3-5-14(6-4-13)29-11-16(25)21-8-12-2-1-7-24(10-12)18(27)15-9-22-19(28)23-17(15)26/h3-6,9,12H,1-2,7-8,10-11H2,(H,21,25)(H2,22,23,26,28).
What are the key properties of N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 404.40 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 131927463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).