[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C22H28N2O — CID 84557978

IUPAC[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H28N2O/c1-3-19-8-4-5-10-21(19)23-16-18-7-6-9-20(15-18)22(25)24-13-11-17(2)12-14-24/h4-10,15,17,23H,3,11-14,16H2,1-2H3
InChIKeyAABCSAKLWBGNMM-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.73
Rot. Bonds5

About [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 84557978) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID84557978
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1NCc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H28N2O/c1-3-19-8-4-5-10-21(19)23-16-18-7-6-9-20(15-18)22(25)24-13-11-17(2)12-14-24/h4-10,15,17,23H,3,11-14,16H2,1-2H3
InChIKeyAABCSAKLWBGNMM-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N-(2-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052339
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
1-[1-[3-[(2-ethylanilino)methyl]benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 84558216
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54819279
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 84557978) is [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CCc1ccccc1NCc1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AABCSAKLWBGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-19-8-4-5-10-21(19)23-16-18-7-6-9-20(15-18)22(25)24-13-11-17(2)12-14-24/h4-10,15,17,23H,3,11-14,16H2,1-2H3.
What are the key properties of [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylanilino)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 84557978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).