N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide

C19H24N4O3 — CID 70720010

IUPACN-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-22-10-8-15(9-11-22)23(12-7-14-5-3-2-4-6-14)18(25)16-13-20-19(26)21-17(16)24/h2-6,13,15H,7-12H2,1H3,(H2,20,21,24,26)
InChIKeyVYEOCRJQRAVBMD-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.84
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide

N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70720010) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70720010
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-22-10-8-15(9-11-22)23(12-7-14-5-3-2-4-6-14)18(25)16-13-20-19(26)21-17(16)24/h2-6,13,15H,7-12H2,1H3,(H2,20,21,24,26)
InChIKeyVYEOCRJQRAVBMD-UHFFFAOYSA-N
XLogP0.84
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686
2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 70750602
N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110862606
2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95722570
N-cyclopropyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 79701478
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
CID 154893914
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
N-cyclopentyl-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 52574458
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
CID 56915066
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 52574448

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide (CID 70720010) is N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide is CN1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is VYEOCRJQRAVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-10-8-15(9-11-22)23(12-7-14-5-3-2-4-6-14)18(25)16-13-20-19(26)21-17(16)24/h2-6,13,15H,7-12H2,1H3,(H2,20,21,24,26).
What are the key properties of N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide?
N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70720010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).