(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone

C22H24N4O — CID 122149167

IUPAC(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
SMILESCC1CC(N)CCN1C(=O)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O/c1-16-14-19(23)11-13-25(16)22(27)18-8-5-9-20(15-18)26-21(10-12-24-26)17-6-3-2-4-7-17/h2-10,12,15-16,19H,11,13-14,23H2,1H3
InChIKeyBDWGVJYFKORPNT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.49
Rot. Bonds3

About (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone

(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone (PubChem CID 122149167) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
PubChem CID122149167
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
SMILESCC1CC(N)CCN1C(=O)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O/c1-16-14-19(23)11-13-25(16)22(27)18-8-5-9-20(15-18)26-21(10-12-24-26)17-6-3-2-4-7-17/h2-10,12,15-16,19H,11,13-14,23H2,1H3
InChIKeyBDWGVJYFKORPNT-UHFFFAOYSA-N
XLogP3.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119648835
[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 166360657
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124694662
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone (CID 122149167) is (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone is CC1CC(N)CCN1C(=O)c1cccc(-n2nccc2-c2ccccc2)c1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The InChIKey is BDWGVJYFKORPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-14-19(23)11-13-25(16)22(27)18-8-5-9-20(15-18)26-21(10-12-24-26)17-6-3-2-4-7-17/h2-10,12,15-16,19H,11,13-14,23H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 122149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).