[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

C16H20N4O — CID 119493699

IUPAC[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O/c1-17-13-6-5-10-19(12-13)16(21)15-9-11-20(18-15)14-7-3-2-4-8-14/h2-4,7-9,11,13,17H,5-6,10,12H2,1H3
InChIKeyYPKNANXXLLAWRJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.70
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (PubChem CID 119493699) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
PubChem CID119493699
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCNC1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O/c1-17-13-6-5-10-19(12-13)16(21)15-9-11-20(18-15)14-7-3-2-4-8-14/h2-4,7-9,11,13,17H,5-6,10,12H2,1H3
InChIKeyYPKNANXXLLAWRJ-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 94800796
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119492158
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
[1-(3-bromophenyl)pyrazol-3-yl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124687244
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (CID 119493699) is [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is CNC1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is YPKNANXXLLAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-13-6-5-10-19(12-13)16(21)15-9-11-20(18-15)14-7-3-2-4-8-14/h2-4,7-9,11,13,17H,5-6,10,12H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 119493699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).