2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide

C12H25N3O — CID 114515518

IUPAC2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
SMILESCCC(NCCC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C12H25N3O/c1-3-11(12(13)16)14-7-4-10-5-8-15(2)9-6-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyLQCRVJVPYHXTHA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide

2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide (PubChem CID 114515518) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
PubChem CID114515518
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
SMILESCCC(NCCC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C12H25N3O/c1-3-11(12(13)16)14-7-4-10-5-8-15(2)9-6-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyLQCRVJVPYHXTHA-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide 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-(2-cyclobutylethylamino)butanamide
CID 115688602
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
2-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]butanethioamide
CID 114515833
2-(2-aminoethylamino)butanamide
CID 62900229
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide (CID 114515518) is 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide is CCC(NCCC1CCN(C)CC1)C(N)=O.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide?
The InChIKey is LQCRVJVPYHXTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(12(13)16)14-7-4-10-5-8-15(2)9-6-10/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide?
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide is sourced from PubChem (CID 114515518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).