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

C18H23N5O3 — CID 53199213

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3ccccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O3/c1-21-15(10-16(24)22(2)18(21)26)23-9-5-6-13(12-23)17(25)20-11-14-7-3-4-8-19-14/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,20,25)
InChIKeyIQJHFBXBYABNQN-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.01
Rot. Bonds4

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 53199213) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID53199213
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3ccccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O3/c1-21-15(10-16(24)22(2)18(21)26)23-9-5-6-13(12-23)17(25)20-11-14-7-3-4-8-19-14/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,20,25)
InChIKeyIQJHFBXBYABNQN-UHFFFAOYSA-N
XLogP0.01
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 93062627
(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95086065
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 20958272
(3S)-N-(3-cyanophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086096

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 53199213) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCc3ccccn3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IQJHFBXBYABNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-21-15(10-16(24)22(2)18(21)26)23-9-5-6-13(12-23)17(25)20-11-14-7-3-4-8-19-14/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.01, 4 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-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53199213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).