3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one

C13H26N2O2 — CID 114220970

IUPAC3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H26N2O2/c1-5-14-9-10(2)13(16)15-7-6-12(17-4)8-11(15)3/h10-12,14H,5-9H2,1-4H3
InChIKeyCMAIKZHTJXFVLY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one

3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 114220970) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID114220970
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H26N2O2/c1-5-14-9-10(2)13(16)15-7-6-12(17-4)8-11(15)3/h10-12,14H,5-9H2,1-4H3
InChIKeyCMAIKZHTJXFVLY-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 114221407
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
1-[3-(ethylamino)-2-methylpropanoyl]azepane-2-carboxylic acid
CID 64564263
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 114220970) is 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCC(OC)CC1C.
What is the InChIKey of 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is CMAIKZHTJXFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-9-10(2)13(16)15-7-6-12(17-4)8-11(15)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114220970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).