2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride

C17H19ClN4O3 — CID 119388759

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCNCC1
InChIInChI=1S/C17H18N4O3.ClH/c22-14(20-11-5-7-18-8-6-11)9-21-10-19-15-12-3-1-2-4-13(12)24-16(15)17(21)23;/h1-4,10-11,18H,5-9H2,(H,20,22);1H
InChIKeyJCGSHEOJKKNIKN-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119388759) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119388759
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCNCC1
InChIInChI=1S/C17H18N4O3.ClH/c22-14(20-11-5-7-18-8-6-11)9-21-10-19-15-12-3-1-2-4-13(12)24-16(15)17(21)23;/h1-4,10-11,18H,5-9H2,(H,20,22);1H
InChIKeyJCGSHEOJKKNIKN-UHFFFAOYSA-N
XLogP1.43
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452558
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119457982
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638
N-(cyclohexylcarbamoyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808344
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 55967455
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119443323
N-cyclopentyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 28542618
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536448
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119620632
N-(2-amino-1-cyclohexylethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119591014
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55386237
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride (CID 119388759) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCNCC1.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is JCGSHEOJKKNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.ClH/c22-14(20-11-5-7-18-8-6-11)9-21-10-19-15-12-3-1-2-4-13(12)24-16(15)17(21)23;/h1-4,10-11,18H,5-9H2,(H,20,22);1H.
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119388759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).