N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

C14H26N2O2 — CID 108941432

IUPACN-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCCCNC(=O)CC(=O)N1CCCCC1CC
InChIInChI=1S/C14H26N2O2/c1-3-5-9-15-13(17)11-14(18)16-10-7-6-8-12(16)4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyPZZZCNJCFCKOQT-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.08
Rot. Bonds6

About N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108941432) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108941432
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCCCNC(=O)CC(=O)N1CCCCC1CC
InChIInChI=1S/C14H26N2O2/c1-3-5-9-15-13(17)11-14(18)16-10-7-6-8-12(16)4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyPZZZCNJCFCKOQT-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide 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

3-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108944029
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005935
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (CID 108941432) is N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is CCCCNC(=O)CC(=O)N1CCCCC1CC.
What is the InChIKey of N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is PZZZCNJCFCKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-9-15-13(17)11-14(18)16-10-7-6-8-12(16)4-2/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 254.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108941432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).