2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone

C13H26N2O2 — CID 61216682

IUPAC2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CNC(C)CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)14-10-13(16)15-8-6-12(7-9-15)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyKWUDIHHDNBKBFE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone

2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone (PubChem CID 61216682) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
PubChem CID61216682
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CNC(C)CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)14-10-13(16)15-8-6-12(7-9-15)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyKWUDIHHDNBKBFE-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
CID 61215632
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone (CID 61216682) is 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone is CCOC1CCN(C(=O)CNC(C)CC)CC1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone?
The InChIKey is KWUDIHHDNBKBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(3)14-10-13(16)15-8-6-12(7-9-15)17-5-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone?
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 61216682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).