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

C18H21ClN4O3 — CID 119443323

IUPACN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CCNCC1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-21(12-6-8-19-9-7-12)15(23)10-22-11-20-16-13-4-2-3-5-14(13)25-17(16)18(22)24;/h2-5,11-12,19H,6-10H2,1H3;1H
InChIKeyUXMSNGBVEVWRFO-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.77
Rot. Bonds3

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

N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119443323) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119443323
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CCNCC1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-21(12-6-8-19-9-7-12)15(23)10-22-11-20-16-13-4-2-3-5-14(13)25-17(16)18(22)24;/h2-5,11-12,19H,6-10H2,1H3;1H
InChIKeyUXMSNGBVEVWRFO-UHFFFAOYSA-N
XLogP1.77
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7735859
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388759
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452558
3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119472296
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536448
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 38227244
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119457982
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119545425
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119633290
3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119541004

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride (CID 119443323) is N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is UXMSNGBVEVWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.ClH/c1-21(12-6-8-19-9-7-12)15(23)10-22-11-20-16-13-4-2-3-5-14(13)25-17(16)18(22)24;/h2-5,11-12,19H,6-10H2,1H3;1H.
What are the key properties of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride?
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119443323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).