5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C17H18N4O3 — CID 155950358

IUPAC5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCC(=Cc3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O3/c18-13-14(19-17(24)20-15(13)22)16(23)21-8-6-12(7-9-21)10-11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H2,19,20,22,24)
InChIKeyTZZVUKBKUGRRQN-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.96
Rot. Bonds2

About 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 155950358) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID155950358
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCC(=Cc3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O3/c18-13-14(19-17(24)20-15(13)22)16(23)21-8-6-12(7-9-21)10-11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H2,19,20,22,24)
InChIKeyTZZVUKBKUGRRQN-UHFFFAOYSA-N
XLogP0.96
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71977444
(4-benzylidenepiperidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146102981
2-(4-benzylidenepiperidin-1-yl)-2-oxo-N-phenylacetamide
CID 59864375
5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 71767402
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione
CID 5358559
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
CID 71977454
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
4-benzylidene-N'-ethylpiperidine-1-carboximidamide
CID 86814243
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 71977451
2-[[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 109415058

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 155950358) is 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is Nc1c(C(=O)N2CCC(=Cc3ccccc3)CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is TZZVUKBKUGRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-13-14(19-17(24)20-15(13)22)16(23)21-8-6-12(7-9-21)10-11-4-2-1-3-5-11/h1-5,10H,6-9,18H2,(H2,19,20,22,24).
What are the key properties of 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 326.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-benzylidenepiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155950358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).