5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C19H25N5O4 — CID 154793920

IUPAC5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)cc1
InChIInChI=1S/C19H25N5O4/c1-28-14-4-2-13(3-5-14)11-24-8-6-12(7-9-24)10-21-18(26)16-15(20)17(25)23-19(27)22-16/h2-5,12H,6-11,20H2,1H3,(H,21,26)(H2,22,23,25,27)
InChIKeyVUIYPBJJHCNMPI-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.30
Rot. Bonds6

About 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 154793920) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID154793920
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)cc1
InChIInChI=1S/C19H25N5O4/c1-28-14-4-2-13(3-5-14)11-24-8-6-12(7-9-24)10-21-18(26)16-15(20)17(25)23-19(27)22-16/h2-5,12H,6-11,20H2,1H3,(H,21,26)(H2,22,23,25,27)
InChIKeyVUIYPBJJHCNMPI-UHFFFAOYSA-N
XLogP0.30
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 136579572
5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 71767402
4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 167889615
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 154793920) is 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is COc1ccc(CN2CCC(CNC(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)cc1.
What is the InChIKey of 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is VUIYPBJJHCNMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-28-14-4-2-13(3-5-14)11-24-8-6-12(7-9-24)10-21-18(26)16-15(20)17(25)23-19(27)22-16/h2-5,12H,6-11,20H2,1H3,(H,21,26)(H2,22,23,25,27).
What are the key properties of 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 154793920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).