(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone

C14H21N3O — CID 170457723

IUPAC(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
SMILESC=CCc1cnn(C)c1C(=O)N1CCCCC1C
InChIInChI=1S/C14H21N3O/c1-4-7-12-10-15-16(3)13(12)14(18)17-9-6-5-8-11(17)2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyYRSNTTKOXJJTBK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds3

About (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone

(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone (PubChem CID 170457723) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
PubChem CID170457723
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
SMILESC=CCc1cnn(C)c1C(=O)N1CCCCC1C
InChIInChI=1S/C14H21N3O/c1-4-7-12-10-15-16(3)13(12)14(18)17-9-6-5-8-11(17)2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyYRSNTTKOXJJTBK-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457714
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
CID 130443193
1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966891
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
CID 110498899

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone (CID 170457723) is (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone is C=CCc1cnn(C)c1C(=O)N1CCCCC1C.
What is the InChIKey of (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone?
The InChIKey is YRSNTTKOXJJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-7-12-10-15-16(3)13(12)14(18)17-9-6-5-8-11(17)2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone?
(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone is sourced from PubChem (CID 170457723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).