N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide

C22H31N5O3 — CID 8894412

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
SMILESCC(C)CN(C(=O)CN1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O3/c1-16(2)13-26(18(28)15-25-11-7-4-8-12-25)19-20(23)27(22(30)24-21(19)29)14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15,23H2,1-2H3,(H,24,29,30)
InChIKeyWMLUZRCNTAWGOP-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.64
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide (PubChem CID 8894412) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
PubChem CID8894412
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
SMILESCC(C)CN(C(=O)CN1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O3/c1-16(2)13-26(18(28)15-25-11-7-4-8-12-25)19-20(23)27(22(30)24-21(19)29)14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15,23H2,1-2H3,(H,24,29,30)
InChIKeyWMLUZRCNTAWGOP-UHFFFAOYSA-N
XLogP1.64
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 16554628
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894400
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41320303
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846346
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 9101793
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 24979911
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 24980195

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide (CID 8894412) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide is CC(C)CN(C(=O)CN1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide?
The InChIKey is WMLUZRCNTAWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16(2)13-26(18(28)15-25-11-7-4-8-12-25)19-20(23)27(22(30)24-21(19)29)14-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15,23H2,1-2H3,(H,24,29,30).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide has a molecular weight of 413.52 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 8894412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).