2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one

C13H26N2O — CID 71154625

IUPAC2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
SMILESCCNC(CC1CCN(C)CC1)C(=O)CC
InChIInChI=1S/C13H26N2O/c1-4-13(16)12(14-5-2)10-11-6-8-15(3)9-7-11/h11-12,14H,4-10H2,1-3H3
InChIKeyJUHCMAUAFJTPJW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds6

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

2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one (PubChem CID 71154625) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
PubChem CID71154625
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
SMILESCCNC(CC1CCN(C)CC1)C(=O)CC
InChIInChI=1S/C13H26N2O/c1-4-13(16)12(14-5-2)10-11-6-8-15(3)9-7-11/h11-12,14H,4-10H2,1-3H3
InChIKeyJUHCMAUAFJTPJW-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(ethylamino)-3-oxopentyl]piperidine-1-carboxylate
CID 71154690
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
CID 71154495
1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one
CID 177155976
2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
CID 71154728
2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
CID 83983014
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
CID 71154610
(2S)-2-(ethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 87956704
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
ethane;3-(1-methylpiperidin-4-yl)-2-[(2,2,4,4-tetramethyl-5-oxoheptanoyl)amino]propanoic acid
CID 178134910
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one (CID 71154625) is 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one is CCNC(CC1CCN(C)CC1)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one?
The InChIKey is JUHCMAUAFJTPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(16)12(14-5-2)10-11-6-8-15(3)9-7-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one?
2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one has a molecular weight of 226.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one is sourced from PubChem (CID 71154625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).