2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride

C12H19ClN4O3 — CID 119427693

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)NC2CCCNC2)c1=O
InChIInChI=1S/C12H18N4O3.ClH/c1-15-11(18)4-6-16(12(15)19)8-10(17)14-9-3-2-5-13-7-9;/h4,6,9,13H,2-3,5,7-8H2,1H3,(H,14,17);1H
InChIKeyOWSXRYWKKBUUSG-UHFFFAOYSA-N
MW302.76 g/mol
LogP-1.16
Rot. Bonds3

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 119427693) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID119427693
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)NC2CCCNC2)c1=O
InChIInChI=1S/C12H18N4O3.ClH/c1-15-11(18)4-6-16(12(15)19)8-10(17)14-9-3-2-5-13-7-9;/h4,6,9,13H,2-3,5,7-8H2,1H3,(H,14,17);1H
InChIKeyOWSXRYWKKBUUSG-UHFFFAOYSA-N
XLogP-1.16
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 71896773
N-piperidin-3-ylpropanamide
CID 3520588
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 39017810
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119574835
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide
CID 119428298
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride (CID 119427693) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride is Cl.Cn1c(=O)ccn(CC(=O)NC2CCCNC2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is OWSXRYWKKBUUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3.ClH/c1-15-11(18)4-6-16(12(15)19)8-10(17)14-9-3-2-5-13-7-9;/h4,6,9,13H,2-3,5,7-8H2,1H3,(H,14,17);1H.
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119427693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).