1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one

C22H29N3O — CID 133473187

IUPAC1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCC(C)c1ccc(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-16(2)19-5-3-17(4-6-19)15-18-9-12-24(13-10-18)21-22(26)25(14-11-23-21)20-7-8-20/h3-6,11,14,16,18,20H,7-10,12-13,15H2,1-2H3
InChIKeyCXKDKTZKZTZWCQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.16
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one (PubChem CID 133473187) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one
PubChem CID133473187
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCC(C)c1ccc(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-16(2)19-5-3-17(4-6-19)15-18-9-12-24(13-10-18)21-22(26)25(14-11-23-21)20-7-8-20/h3-6,11,14,16,18,20H,7-10,12-13,15H2,1-2H3
InChIKeyCXKDKTZKZTZWCQ-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 115917389
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 126944666
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126910396
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201
1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one
CID 126769696

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one (CID 133473187) is 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one is CC(C)c1ccc(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one?
The InChIKey is CXKDKTZKZTZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(2)19-5-3-17(4-6-19)15-18-9-12-24(13-10-18)21-22(26)25(14-11-23-21)20-7-8-20/h3-6,11,14,16,18,20H,7-10,12-13,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one?
1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 133473187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).