2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide

C19H25N5O3 — CID 119447338

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCN1CCNCC1
InChIInChI=1S/C19H25N5O3/c25-17(21-9-13-22-11-7-20-8-12-22)15-24-18(26)6-10-23(19(24)27)14-16-4-2-1-3-5-16/h1-6,10,20H,7-9,11-15H2,(H,21,25)
InChIKeyJKOZDEALXFLGRT-UHFFFAOYSA-N
MW371.44 g/mol
LogP-0.92
Rot. Bonds7

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119447338) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119447338
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCN1CCNCC1
InChIInChI=1S/C19H25N5O3/c25-17(21-9-13-22-11-7-20-8-12-22)15-24-18(26)6-10-23(19(24)27)14-16-4-2-1-3-5-16/h1-6,10,20H,7-9,11-15H2,(H,21,25)
InChIKeyJKOZDEALXFLGRT-UHFFFAOYSA-N
XLogP-0.92
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447887
N-butyl-2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755239
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47036197
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 16625861
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide (CID 119447338) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCN1CCNCC1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is JKOZDEALXFLGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-17(21-9-13-22-11-7-20-8-12-22)15-24-18(26)6-10-23(19(24)27)14-16-4-2-1-3-5-16/h1-6,10,20H,7-9,11-15H2,(H,21,25).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of -0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119447338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).