[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone

C15H23N3O2 — CID 56779011

IUPAC[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)C2CCCO2)c1
InChIInChI=1S/C15H23N3O2/c1-12-9-16-17(10-12)11-13-5-2-3-7-18(13)15(19)14-6-4-8-20-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyPKRSDOFSRUSBLI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds3

About [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone

[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 56779011) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID56779011
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)C2CCCO2)c1
InChIInChI=1S/C15H23N3O2/c1-12-9-16-17(10-12)11-13-5-2-3-7-18(13)15(19)14-6-4-8-20-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyPKRSDOFSRUSBLI-UHFFFAOYSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95316152
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95605673
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603037
(4-methyloxan-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 154747951
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
(2S)-3-methyl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
CID 129448774
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95603206
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129448790
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 56779011) is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1cnn(CC2CCCCN2C(=O)C2CCCO2)c1.
What is the InChIKey of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PKRSDOFSRUSBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-9-16-17(10-12)11-13-5-2-3-7-18(13)15(19)14-6-4-8-20-14/h9-10,13-14H,2-8,11H2,1H3.
What are the key properties of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 56779011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).