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

C22H29N3O2 — CID 109240554

IUPAC(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-4-20-7-5-6-12-25(20)22(26)17-13-19(15-23-14-17)24-18-8-10-21(11-9-18)27-16(2)3/h8-11,13-16,20,24H,4-7,12H2,1-3H3
InChIKeyMAUMUZQGEAMCFE-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.02
Rot. Bonds6

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

(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone (PubChem CID 109240554) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
PubChem CID109240554
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29N3O2/c1-4-20-7-5-6-12-25(20)22(26)17-13-19(15-23-14-17)24-18-8-10-21(11-9-18)27-16(2)3/h8-11,13-16,20,24H,4-7,12H2,1-3H3
InChIKeyMAUMUZQGEAMCFE-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

Analyze (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
CID 58738124
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone (CID 109240554) is (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1cncc(Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The InChIKey is MAUMUZQGEAMCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-20-7-5-6-12-25(20)22(26)17-13-19(15-23-14-17)24-18-8-10-21(11-9-18)27-16(2)3/h8-11,13-16,20,24H,4-7,12H2,1-3H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-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)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109240554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).