[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone

C25H31N5O2 — CID 92615923

IUPAC[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1
InChIInChI=1S/C25H31N5O2/c1-28(2)13-14-32-24-9-5-4-8-22(24)25(31)30-12-6-7-20(18-30)23-11-10-19(15-26-23)21-16-27-29(3)17-21/h4-5,8-11,15-17,20H,6-7,12-14,18H2,1-3H3/t20-/m1/s1
InChIKeyAQPWCFZCLOHDQA-HXUWFJFHSA-N
MW433.56 g/mol
LogP3.44
Rot. Bonds7

About [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone

[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 92615923) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID92615923
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1
InChIInChI=1S/C25H31N5O2/c1-28(2)13-14-32-24-9-5-4-8-22(24)25(31)30-12-6-7-20(18-30)23-11-10-19(15-26-23)21-16-27-29(3)17-21/h4-5,8-11,15-17,20H,6-7,12-14,18H2,1-3H3/t20-/m1/s1
InChIKeyAQPWCFZCLOHDQA-HXUWFJFHSA-N
XLogP3.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489592
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124688335
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
CID 126804476
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
(3S,4S)-1-[2-[2-(dimethylamino)ethoxy]benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950342
[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 125008764
[3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 110151576
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743404
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
CID 92615747

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 92615923) is [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone is CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is AQPWCFZCLOHDQA-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28(2)13-14-32-24-9-5-4-8-22(24)25(31)30-12-6-7-20(18-30)23-11-10-19(15-26-23)21-16-27-29(3)17-21/h4-5,8-11,15-17,20H,6-7,12-14,18H2,1-3H3/t20-/m1/s1.
What are the key properties of [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 433.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 92615923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).