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

C21H27N3O2 — CID 109175729

IUPAC(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-8-6-18(7-9-19)23-20-13-17(10-11-22-20)21(25)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyLADHJSPOXLIQOE-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.48
Rot. Bonds5

About (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone (PubChem CID 109175729) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
PubChem CID109175729
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-8-6-18(7-9-19)23-20-13-17(10-11-22-20)21(25)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyLADHJSPOXLIQOE-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
CID 109166454
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109174945
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone (CID 109175729) is (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone is CC1CCCN(C(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone?
The InChIKey is LADHJSPOXLIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-19-8-6-18(7-9-19)23-20-13-17(10-11-22-20)21(25)24-12-4-5-16(3)14-24/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,22,23).
What are the key properties of (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109175729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).