1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide

C15H24N4O3 — CID 136930331

IUPAC1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCOCCN1CCCC(C(=O)NCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O3/c1-11-8-14(20)18-13(17-11)9-16-15(21)12-4-3-5-19(10-12)6-7-22-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyLWMPSIIADFXULI-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.05
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide

1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 136930331) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID136930331
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCOCCN1CCCC(C(=O)NCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O3/c1-11-8-14(20)18-13(17-11)9-16-15(21)12-4-3-5-19(10-12)6-7-22-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyLWMPSIIADFXULI-UHFFFAOYSA-N
XLogP0.05
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709715
(3R)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709719
N,2-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339736
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
2,3-dimethyl-6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920554
1-ethyl-3-methyl-N-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135859855
(3R)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889771
(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889772
4-[(2-methoxyethylamino)methyl]-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 136095485
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-1-isopropyl-3-piperidinecarboxamide
CID 136217022
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217067

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide (CID 136930331) is 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide is COCCN1CCCC(C(=O)NCc2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LWMPSIIADFXULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-8-14(20)18-13(17-11)9-16-15(21)12-4-3-5-19(10-12)6-7-22-2/h8,12H,3-7,9-10H2,1-2H3,(H,16,21)(H,17,18,20).
What are the key properties of 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136930331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).