[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

C14H23N3O — CID 39855081

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C14H23N3O/c1-4-7-17-13(5-6-15-17)14(18)16-9-11(2)8-12(3)10-16/h5-6,11-12H,4,7-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyBEIJMEXWJWAPKH-RYUDHWBXSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds3

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 39855081) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID39855081
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C14H23N3O/c1-4-7-17-13(5-6-15-17)14(18)16-9-11(2)8-12(3)10-16/h5-6,11-12H,4,7-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyBEIJMEXWJWAPKH-RYUDHWBXSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 72930631
2-propylpyrazole-3-carboxylic acid
CID 7017775
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482326
(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 79077309
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (CID 39855081) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is BEIJMEXWJWAPKH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-17-13(5-6-15-17)14(18)16-9-11(2)8-12(3)10-16/h5-6,11-12H,4,7-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 39855081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).