1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone

C13H26N2O — CID 63159977

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-8-14-11-12(16)15-9-6-13(3,5-2)7-10-15/h14H,4-11H2,1-3H3
InChIKeySJIQRGUFUURKDS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone

1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone (PubChem CID 63159977) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
PubChem CID63159977
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-8-14-11-12(16)15-9-6-13(3,5-2)7-10-15/h14H,4-11H2,1-3H3
InChIKeySJIQRGUFUURKDS-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
CID 142209070
1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119789092
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
1-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 63161861
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63160617
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone (CID 63159977) is 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone is CCCNCC(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone?
The InChIKey is SJIQRGUFUURKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-8-14-11-12(16)15-9-6-13(3,5-2)7-10-15/h14H,4-11H2,1-3H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone?
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 63159977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).