6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one

C20H26N4O2 — CID 126941774

IUPAC6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccccn1CCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C20H26N4O2/c25-19-3-1-2-8-23(19)12-11-22-9-6-16(7-10-22)14-24-15-21-18(13-20(24)26)17-4-5-17/h1-3,8,13,15-17H,4-7,9-12,14H2
InChIKeyXUJVNUXBUSOASA-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.69
Rot. Bonds6

About 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941774) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941774
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccccn1CCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C20H26N4O2/c25-19-3-1-2-8-23(19)12-11-22-9-6-16(7-10-22)14-24-15-21-18(13-20(24)26)17-4-5-17/h1-3,8,13,15-17H,4-7,9-12,14H2
InChIKeyXUJVNUXBUSOASA-UHFFFAOYSA-N
XLogP1.69
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941926
6-cyclopropyl-3-[[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941809
6-cyclopropyl-3-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941733
6-cyclopropyl-3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941866
6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941867
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941670
6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941776
6-cyclopropyl-3-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941807

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941774) is 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1ccccn1CCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XUJVNUXBUSOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-3-1-2-8-23(19)12-11-22-9-6-16(7-10-22)14-24-15-21-18(13-20(24)26)17-4-5-17/h1-3,8,13,15-17H,4-7,9-12,14H2.
What are the key properties of 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 354.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).