(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone

C22H29N3O2 — CID 109175650

IUPAC(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-4-18-9-7-8-14-25(18)22(26)17-12-13-23-21(15-17)24-19-10-5-6-11-20(19)27-16(2)3/h5-6,10-13,15-16,18H,4,7-9,14H2,1-3H3,(H,23,24)
InChIKeyMBERARASVRAFRK-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.02
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone (PubChem CID 109175650) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
PubChem CID109175650
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-4-18-9-7-8-14-25(18)22(26)17-12-13-23-21(15-17)24-19-10-5-6-11-20(19)27-16(2)3/h5-6,10-13,15-16,18H,4,7-9,14H2,1-3H3,(H,23,24)
InChIKeyMBERARASVRAFRK-UHFFFAOYSA-N
XLogP5.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175669
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175643
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone (CID 109175650) is (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2OC(C)C)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The InChIKey is MBERARASVRAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-18-9-7-8-14-25(18)22(26)17-12-13-23-21(15-17)24-19-10-5-6-11-20(19)27-16(2)3/h5-6,10-13,15-16,18H,4,7-9,14H2,1-3H3,(H,23,24).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone has a molecular weight of 367.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109175650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).