[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone

C22H24N4O — CID 146127136

IUPAC[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c1-24(18-8-4-2-5-9-18)19-13-16-25(17-14-19)22(27)21-12-15-23-26(21)20-10-6-3-7-11-20/h2-12,15,19H,13-14,16-17H2,1H3
InChIKeyVBBIZKUVBCODRC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.61
Rot. Bonds4

About [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone

[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone (PubChem CID 146127136) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
PubChem CID146127136
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c1-24(18-8-4-2-5-9-18)19-13-16-25(17-14-19)22(27)21-12-15-23-26(21)20-10-6-3-7-11-20/h2-12,15,19H,13-14,16-17H2,1H3
InChIKeyVBBIZKUVBCODRC-UHFFFAOYSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124958394
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119900172
[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 167886981
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374

Frequently Asked Questions

What is the IUPAC name of [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone (CID 146127136) is [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone is CN(c1ccccc1)C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1.
What is the InChIKey of [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is VBBIZKUVBCODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-24(18-8-4-2-5-9-18)19-13-16-25(17-14-19)22(27)21-12-15-23-26(21)20-10-6-3-7-11-20/h2-12,15,19H,13-14,16-17H2,1H3.
What are the key properties of [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone?
[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 146127136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).