N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H16N4O3 — CID 114696355

IUPACN-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCNCC1
InChIInChI=1S/C11H16N4O3/c1-11(2-4-12-5-3-11)15-9(17)7-6-8(16)14-10(18)13-7/h6,12H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18)
InChIKeyUNKGRBMQBJZCES-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.06
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 114696355) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID114696355
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCNCC1
InChIInChI=1S/C11H16N4O3/c1-11(2-4-12-5-3-11)15-9(17)7-6-8(16)14-10(18)13-7/h6,12H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18)
InChIKeyUNKGRBMQBJZCES-UHFFFAOYSA-N
XLogP-1.06
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 39894614
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456
6-(1-piperidinylcarbonyl)-2,4(1H,3H)-pyrimidinedione
CID 1241072
6-(2-ethyl-4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 6618800
6-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56742220
1,3-dimethyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 118779324
N-(2,4-dihydroxypyrimidin-5-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
CID 42535181
2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43345784
2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide
CID 43443251
6-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43556193
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594393

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 114696355) is N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is UNKGRBMQBJZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2-4-12-5-3-11)15-9(17)7-6-8(16)14-10(18)13-7/h6,12H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18).
What are the key properties of N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 114696355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).