1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one

C18H28N2O2 — CID 109022144

IUPAC1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCc1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-3-16-9-6-7-13-20(16)18(21)11-12-19-14-15-8-4-5-10-17(15)22-2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeyPTWVYXWVTCILNW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds7

About 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one

1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one (PubChem CID 109022144) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
PubChem CID109022144
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCc1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-3-16-9-6-7-13-20(16)18(21)11-12-19-14-15-8-4-5-10-17(15)22-2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeyPTWVYXWVTCILNW-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
CID 109019962
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
2-(cyclopropylmethylamino)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119758349
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
3-amino-N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578219
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43266232

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one (CID 109022144) is 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one is CCC1CCCCN1C(=O)CCNCc1ccccc1OC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one?
The InChIKey is PTWVYXWVTCILNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-16-9-6-7-13-20(16)18(21)11-12-19-14-15-8-4-5-10-17(15)22-2/h4-5,8,10,16,19H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one?
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one is sourced from PubChem (CID 109022144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).