N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide

C12H23N3O2 — CID 63130017

IUPACN-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCCNC(C)=O)CCCNC1
InChIInChI=1S/C12H23N3O2/c1-3-12(5-4-6-13-9-12)11(17)15-8-7-14-10(2)16/h13H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMNNAZMZGGJNVDV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds5

About N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide

N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63130017) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
PubChem CID63130017
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCCNC(C)=O)CCCNC1
InChIInChI=1S/C12H23N3O2/c1-3-12(5-4-6-13-9-12)11(17)15-8-7-14-10(2)16/h13H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMNNAZMZGGJNVDV-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide 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-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260889
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethylpiperidine-3-carboxamide
CID 63316367
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide (CID 63130017) is N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)NCCNC(C)=O)CCCNC1.
What is the InChIKey of N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is MNNAZMZGGJNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-12(5-4-6-13-9-12)11(17)15-8-7-14-10(2)16/h13H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide?
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).