1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide

C17H28N4O3 — CID 53010398

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C17H28N4O3/c1-12(2)7-8-18-16(23)13-6-5-9-21(11-13)14-10-15(22)20(4)17(24)19(14)3/h10,12-13H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyUVWNRDGTLIDOGI-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.46
Rot. Bonds5

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 53010398) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID53010398
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C17H28N4O3/c1-12(2)7-8-18-16(23)13-6-5-9-21(11-13)14-10-15(22)20(4)17(24)19(14)3/h10,12-13H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyUVWNRDGTLIDOGI-UHFFFAOYSA-N
XLogP0.46
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381307
N-cyclohexyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53010365
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(2-methoxyethyl)-3-piperidinecarboxamide
CID 53010371
N-Cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-piperidinecarboxamide
CID 53010375
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-3-carboxamide
CID 53010378
N-Cyclohexyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-piperidinecarboxamide
CID 53010379
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[3-(4-morpholinyl)propyl]-3-piperidinecarboxamide
CID 53010383
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53010384
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)-N-(propan-2-YL)piperidine-3-carboxamide
CID 53010385
3-{1-[(3-fluorophenyl)sulfonyl]piperidin-4-yl}-6-methylquinazolin-4(3H)-one
CID 53010386
6-{5-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}quinoline
CID 53010387
5-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(2-thienyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 53010393

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 53010398) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is UVWNRDGTLIDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(2)7-8-18-16(23)13-6-5-9-21(11-13)14-10-15(22)20(4)17(24)19(14)3/h10,12-13H,5-9,11H2,1-4H3,(H,18,23).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).