2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C16H25N3O3 — CID 86284044

IUPAC2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H25N3O3/c20-16(12-21-11-14-3-1-2-10-22-14)19-8-5-13(6-9-19)15-4-7-17-18-15/h4,7,13-14H,1-3,5-6,8-12H2,(H,17,18)
InChIKeyDJUUVNVJLVXONY-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.70
Rot. Bonds5

About 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 86284044) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID86284044
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H25N3O3/c20-16(12-21-11-14-3-1-2-10-22-14)19-8-5-13(6-9-19)15-4-7-17-18-15/h4,7,13-14H,1-3,5-6,8-12H2,(H,17,18)
InChIKeyDJUUVNVJLVXONY-UHFFFAOYSA-N
XLogP1.70
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 94809106
(2S)-2-fluoro-2-methyl-1-[2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
CID 163392028
(2S)-2-fluoro-2-methyl-1-[(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
CID 163392292
2-fluoro-2-methyl-1-[2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
CID 167101217
2-fluoro-2-methyl-1-[(2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
CID 174160017
2-(2-ethylcyclohexyl)oxy-1-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128369708
[(2R,3R)-2-propan-2-yloxan-3-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 129492432
4-(1H-pyrazol-3-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 90650121
1-(butoxyacetyl)-4-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56745601
4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine
CID 71892440
4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 69416837
2-hydroxy-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 69553620

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 86284044) is 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(COCC1CCCCO1)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is DJUUVNVJLVXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-16(12-21-11-14-3-1-2-10-22-14)19-8-5-13(6-9-19)15-4-7-17-18-15/h4,7,13-14H,1-3,5-6,8-12H2,(H,17,18).
What are the key properties of 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86284044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).