5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H16N4O3 — CID 55086294

IUPAC5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyWXIVBMXNWWIKLW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.11
Rot. Bonds2

About 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 55086294) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID55086294
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyWXIVBMXNWWIKLW-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Chinoin 127
CID 155639
N-(2-diethylaminoethyl)-1-methyl-2,4-dioxo-pyrimidine-5-carboxamide
CID 176468645
rel-(6R,9aS)-1,6,7,8,9,9a-Hexahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 12473939
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56705900
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
5-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 642681
4H-Pyrido[1,2-a]pyrimidine-3-carboxamide, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-
CID 579688
5-(4-Methylpiperazinomethyl)uracil
CID 15031088
m-Piperidinyl thymine
CID 51050595
1-(2-Aminoacetyl)-5-(aminomethyl)-3-cyclohexylpyrimidine-2,4-dione
CID 91416028
1-(2-Aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione
CID 91557933
3-methyl-2,4-dioxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 120811432

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 55086294) is 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WXIVBMXNWWIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18).
What are the key properties of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 55086294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).