(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone

C20H25N3O2 — CID 71979487

IUPAC(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-3-25-18-10-7-13-21-19(18)20(24)23-14-11-17(12-15-23)22(2)16-8-5-4-6-9-16/h4-10,13,17H,3,11-12,14-15H2,1-2H3
InChIKeyKIHNYPQSVXZEKD-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds5

About (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone

(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone (PubChem CID 71979487) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
PubChem CID71979487
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-3-25-18-10-7-13-21-19(18)20(24)23-14-11-17(12-15-23)22(2)16-8-5-4-6-9-16/h4-10,13,17H,3,11-12,14-15H2,1-2H3
InChIKeyKIHNYPQSVXZEKD-UHFFFAOYSA-N
XLogP3.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 166227834
[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 167886981
(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 71979423
2-[4-(3-ethoxypyridine-2-carbonyl)piperazin-1-yl]-3-methylbutanenitrile
CID 71979464
1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349625
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-ethoxy-2-pyridinyl)methanone
CID 120744983
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone (CID 71979487) is (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone is CCOc1cccnc1C(=O)N1CCC(N(C)c2ccccc2)CC1.
What is the InChIKey of (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone?
The InChIKey is KIHNYPQSVXZEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-18-10-7-13-21-19(18)20(24)23-14-11-17(12-15-23)22(2)16-8-5-4-6-9-16/h4-10,13,17H,3,11-12,14-15H2,1-2H3.
What are the key properties of (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone?
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 71979487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).