4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one

C18H28N2O2 — CID 82138981

IUPAC4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCCOc1ccc(C(CN)CC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-22-17-6-4-15(5-7-17)16(13-19)12-18(21)20-10-8-14(2)9-11-20/h4-7,14,16H,3,8-13,19H2,1-2H3
InChIKeyAHGHFAYAUVGQQZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.78
Rot. Bonds6

About 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one

4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 82138981) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID82138981
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCCOc1ccc(C(CN)CC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-22-17-6-4-15(5-7-17)16(13-19)12-18(21)20-10-8-14(2)9-11-20/h4-7,14,16H,3,8-13,19H2,1-2H3
InChIKeyAHGHFAYAUVGQQZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
CID 120684265
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1172276
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one (CID 82138981) is 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one is CCOc1ccc(C(CN)CC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is AHGHFAYAUVGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-22-17-6-4-15(5-7-17)16(13-19)12-18(21)20-10-8-14(2)9-11-20/h4-7,14,16H,3,8-13,19H2,1-2H3.
What are the key properties of 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one?
4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 82138981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).