2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide

C18H24N4O2 — CID 95310383

IUPAC2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCCC[C@H]2Cn2cccn2)c1
InChIInChI=1S/C18H24N4O2/c19-18(23)14-24-17-7-3-5-15(11-17)12-21-9-2-1-6-16(21)13-22-10-4-8-20-22/h3-5,7-8,10-11,16H,1-2,6,9,12-14H2,(H2,19,23)/t16-/m0/s1
InChIKeyCNQNLGFCYPHWBR-INIZCTEOSA-N
MW328.42 g/mol
LogP1.80
Rot. Bonds7

About 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide

2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 95310383) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID95310383
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCCC[C@H]2Cn2cccn2)c1
InChIInChI=1S/C18H24N4O2/c19-18(23)14-24-17-7-3-5-15(11-17)12-21-9-2-1-6-16(21)13-22-10-4-8-20-22/h3-5,7-8,10-11,16H,1-2,6,9,12-14H2,(H2,19,23)/t16-/m0/s1
InChIKeyCNQNLGFCYPHWBR-INIZCTEOSA-N
XLogP1.80
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
2-[3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]phenoxy]acetamide
CID 91830993
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
methyl (E)-3-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoate
CID 58183044
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910974
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95343979
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 95310383) is 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide is NC(=O)COc1cccc(CN2CCCC[C@H]2Cn2cccn2)c1.
What is the InChIKey of 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is CNQNLGFCYPHWBR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-18(23)14-24-17-7-3-5-15(11-17)12-21-9-2-1-6-16(21)13-22-10-4-8-20-22/h3-5,7-8,10-11,16H,1-2,6,9,12-14H2,(H2,19,23)/t16-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 95310383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).