5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one

C21H30N4O — CID 138377763

IUPAC5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCc1ccccc1-n1cc(CN(C)CC2CCC(=O)N(C(C)C)C2)cn1
InChIInChI=1S/C21H30N4O/c1-16(2)24-14-18(9-10-21(24)26)12-23(4)13-19-11-22-25(15-19)20-8-6-5-7-17(20)3/h5-8,11,15-16,18H,9-10,12-14H2,1-4H3
InChIKeyFUKMFTLYVBPQGR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.26
Rot. Bonds6

About 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one

5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138377763) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138377763
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCc1ccccc1-n1cc(CN(C)CC2CCC(=O)N(C(C)C)C2)cn1
InChIInChI=1S/C21H30N4O/c1-16(2)24-14-18(9-10-21(24)26)12-23(4)13-19-11-22-25(15-19)20-8-6-5-7-17(20)3/h5-8,11,15-16,18H,9-10,12-14H2,1-4H3
InChIKeyFUKMFTLYVBPQGR-UHFFFAOYSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one (CID 138377763) is 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one is Cc1ccccc1-n1cc(CN(C)CC2CCC(=O)N(C(C)C)C2)cn1.
What is the InChIKey of 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is FUKMFTLYVBPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)24-14-18(9-10-21(24)26)12-23(4)13-19-11-22-25(15-19)20-8-6-5-7-17(20)3/h5-8,11,15-16,18H,9-10,12-14H2,1-4H3.
What are the key properties of 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 354.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138377763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).