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

C16H26N4O4 — CID 53010387

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H26N4O4/c1-18-13(10-14(21)19(2)16(18)23)20-8-4-6-12(11-20)15(22)17-7-5-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyKVOWAHHHMYHLSM-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.55
Rot. Bonds6

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 53010387) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID53010387
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H26N4O4/c1-18-13(10-14(21)19(2)16(18)23)20-8-4-6-12(11-20)15(22)17-7-5-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyKVOWAHHHMYHLSM-UHFFFAOYSA-N
XLogP-0.55
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46381363
N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381376
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-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
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide
CID 53010388
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-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 53010387) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=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-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is KVOWAHHHMYHLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-18-13(10-14(21)19(2)16(18)23)20-8-4-6-12(11-20)15(22)17-7-5-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).