1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone

C21H25N3O2 — CID 109240561

IUPAC1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
SMILESCCC1CCCCN1C(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H25N3O2/c1-3-20-9-4-5-10-24(20)21(26)17-12-19(14-22-13-17)23-18-8-6-7-16(11-18)15(2)25/h6-8,11-14,20,23H,3-5,9-10H2,1-2H3
InChIKeyUPMQVMAHDTUXOJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone

1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone (PubChem CID 109240561) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
PubChem CID109240561
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
SMILESCCC1CCCCN1C(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H25N3O2/c1-3-20-9-4-5-10-24(20)21(26)17-12-19(14-22-13-17)23-18-8-6-7-16(11-18)15(2)25/h6-8,11-14,20,23H,3-5,9-10H2,1-2H3
InChIKeyUPMQVMAHDTUXOJ-UHFFFAOYSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109125899
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
ethyl 4-[5-(3-acetylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238322
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone (CID 109240561) is 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone is CCC1CCCCN1C(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The InChIKey is UPMQVMAHDTUXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-20-9-4-5-10-24(20)21(26)17-12-19(14-22-13-17)23-18-8-6-7-16(11-18)15(2)25/h6-8,11-14,20,23H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109240561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).