3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

C19H24N4O — CID 91646998

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1
InChIInChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3
InChIKeyYYOOTZSVSWAKTJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.66
Rot. Bonds5

About 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 91646998) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID91646998
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1
InChIInChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3
InChIKeyYYOOTZSVSWAKTJ-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 91646998) is 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is Cn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is YYOOTZSVSWAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3.
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 91646998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).