(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide

C14H22N4O3 — CID 93070870

IUPAC(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)/t10-/m0/s1
InChIKeyZYYQMOSDJJBSRF-JTQLQIEISA-N
MW294.36 g/mol
LogP-0.56
Rot. Bonds3

About (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide

(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide (PubChem CID 93070870) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
PubChem CID93070870
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)/t10-/m0/s1
InChIKeyZYYQMOSDJJBSRF-JTQLQIEISA-N
XLogP-0.56
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
1-methyl-N-(4-methylphenyl)-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 53010395
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N~3~-[3-(1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 53010396

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide (CID 93070870) is (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is ZYYQMOSDJJBSRF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)/t10-/m0/s1.
What are the key properties of (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 93070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).