3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide

C19H23FN4O3 — CID 95709652

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H23FN4O3/c20-16-6-2-1-4-14(16)12-23-9-3-5-15(13-23)21-17(25)7-10-24-11-8-18(26)22-19(24)27/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2,(H,21,25)(H,22,26,27)/t15-/m1/s1
InChIKeyMMBWDOBNXRJTRZ-OAHLLOKOSA-N
MW374.42 g/mol
LogP0.85
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 95709652) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
PubChem CID95709652
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H23FN4O3/c20-16-6-2-1-4-14(16)12-23-9-3-5-15(13-23)21-17(25)7-10-24-11-8-18(26)22-19(24)27/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2,(H,21,25)(H,22,26,27)/t15-/m1/s1
InChIKeyMMBWDOBNXRJTRZ-OAHLLOKOSA-N
XLogP0.85
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26331061
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131933679
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide (CID 95709652) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is MMBWDOBNXRJTRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-16-6-2-1-4-14(16)12-23-9-3-5-15(13-23)21-17(25)7-10-24-11-8-18(26)22-19(24)27/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2,(H,21,25)(H,22,26,27)/t15-/m1/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 374.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95709652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).