(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone

C21H27N3O2 — CID 109227120

IUPAC(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-6-4-18(5-7-20)23-19-12-17(13-22-14-19)21(25)24-10-8-16(3)9-11-24/h4-7,12-16,23H,8-11H2,1-3H3
InChIKeyMZHQXEGVDZRHFC-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.48
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone (PubChem CID 109227120) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
PubChem CID109227120
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cncc(Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-6-4-18(5-7-20)23-19-12-17(13-22-14-19)21(25)24-10-8-16(3)9-11-24/h4-7,12-16,23H,8-11H2,1-3H3
InChIKeyMZHQXEGVDZRHFC-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

N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227088
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227164
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone (CID 109227120) is (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone is CC1CCN(C(=O)c2cncc(Nc3ccc(OC(C)C)cc3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The InChIKey is MZHQXEGVDZRHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-20-6-4-18(5-7-20)23-19-12-17(13-22-14-19)21(25)24-10-8-16(3)9-11-24/h4-7,12-16,23H,8-11H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-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 (4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109227120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).