(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

C16H20N4O — CID 119946982

IUPAC(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H20N4O/c1-19-15(6-9-18-19)12-7-10-20(11-8-12)16(21)13-4-2-3-5-14(13)17/h2-6,9,12H,7-8,10-11,17H2,1H3
InChIKeyUIBPYVINYBGQRE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.02
Rot. Bonds2

About (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119946982) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID119946982
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C16H20N4O/c1-19-15(6-9-18-19)12-7-10-20(11-8-12)16(21)13-4-2-3-5-14(13)17/h2-6,9,12H,7-8,10-11,17H2,1H3
InChIKeyUIBPYVINYBGQRE-UHFFFAOYSA-N
XLogP2.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119874001
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503635
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128516662
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 119946982) is (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1nccc1C1CCN(C(=O)c2ccccc2N)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UIBPYVINYBGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-15(6-9-18-19)12-7-10-20(11-8-12)16(21)13-4-2-3-5-14(13)17/h2-6,9,12H,7-8,10-11,17H2,1H3.
What are the key properties of (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119946982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).