2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone

C26H35N3O2 — CID 170732207

IUPAC2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone
SMILESCCN1CCC(CC(=O)C2CCCN(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1
InChIInChI=1S/C26H35N3O2/c1-3-28-14-11-20(12-15-28)16-25(30)23-7-5-13-29(19-23)26-10-9-22(18-27-26)21-6-4-8-24(17-21)31-2/h4,6,8-10,17-18,20,23H,3,5,7,11-16,19H2,1-2H3
InChIKeyCVPAFLVGZLCVNW-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.66
Rot. Bonds7

About 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone

2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone (PubChem CID 170732207) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone
PubChem CID170732207
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone
SMILESCCN1CCC(CC(=O)C2CCCN(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1
InChIInChI=1S/C26H35N3O2/c1-3-28-14-11-20(12-15-28)16-25(30)23-7-5-13-29(19-23)26-10-9-22(18-27-26)21-6-4-8-24(17-21)31-2/h4,6,8-10,17-18,20,23H,3,5,7,11-16,19H2,1-2H3
InChIKeyCVPAFLVGZLCVNW-UHFFFAOYSA-N
XLogP4.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone with MolForge

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Related Compounds

2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250449
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 95085716
N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107209
(3S)-N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085955
(3R)-N-(2,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085918
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
(4-ethylpiperazin-1-yl)-[(3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanone
CID 7296386
[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 56863825
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
(3R)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085904
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone (CID 170732207) is 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone is CCN1CCC(CC(=O)C2CCCN(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone?
The InChIKey is CVPAFLVGZLCVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-3-28-14-11-20(12-15-28)16-25(30)23-7-5-13-29(19-23)26-10-9-22(18-27-26)21-6-4-8-24(17-21)31-2/h4,6,8-10,17-18,20,23H,3,5,7,11-16,19H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone?
2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone has a molecular weight of 421.59 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 170732207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).