[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone

C17H26N2O — CID 63213953

IUPAC[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(CC)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-14-8-10-19(11-9-14)17(20)15-6-7-16(18-5-2)13(3)12-15/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeyISFSCXXTIQMLLC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds4

About [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone

[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone (PubChem CID 63213953) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
PubChem CID63213953
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(CC)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-14-8-10-19(11-9-14)17(20)15-6-7-16(18-5-2)13(3)12-15/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeyISFSCXXTIQMLLC-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
[4-[(dimethylamino)methyl]piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 63214056
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
1-[4-(ethylamino)-3-methylbenzoyl]-1,4-diazepan-5-one
CID 63211499
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone (CID 63213953) is [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCC(CC)CC2)cc1C.
What is the InChIKey of [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is ISFSCXXTIQMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-8-10-19(11-9-14)17(20)15-6-7-16(18-5-2)13(3)12-15/h6-7,12,14,18H,4-5,8-11H2,1-3H3.
What are the key properties of [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone?
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63213953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).