3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one

C20H25ClN4O — CID 128995472

IUPAC3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(NC3CC(c4ccc(Cl)cc4)C3)C2)c1=O
InChIInChI=1S/C20H25ClN4O/c1-24-10-8-22-19(20(24)26)25-9-2-3-17(13-25)23-18-11-15(12-18)14-4-6-16(21)7-5-14/h4-8,10,15,17-18,23H,2-3,9,11-13H2,1H3
InChIKeyAVODIVQVYCOWHH-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.94
Rot. Bonds4

About 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 128995472) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID128995472
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(NC3CC(c4ccc(Cl)cc4)C3)C2)c1=O
InChIInChI=1S/C20H25ClN4O/c1-24-10-8-22-19(20(24)26)25-9-2-3-17(13-25)23-18-11-15(12-18)14-4-6-16(21)7-5-14/h4-8,10,15,17-18,23H,2-3,9,11-13H2,1H3
InChIKeyAVODIVQVYCOWHH-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
CID 128965407
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 128995472) is 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCCC(NC3CC(c4ccc(Cl)cc4)C3)C2)c1=O.
What is the InChIKey of 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is AVODIVQVYCOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-10-8-22-19(20(24)26)25-9-2-3-17(13-25)23-18-11-15(12-18)14-4-6-16(21)7-5-14/h4-8,10,15,17-18,23H,2-3,9,11-13H2,1H3.
What are the key properties of 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 372.90 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 128995472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).