2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate

C11H21N3O3 — CID 83211105

IUPAC2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate
SMILESCCC1(C(=O)NCCOC(N)=O)CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-11(3-5-13-6-4-11)9(15)14-7-8-17-10(12)16/h13H,2-8H2,1H3,(H2,12,16)(H,14,15)
InChIKeyNGBYMDHILYWXHK-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate

2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate (PubChem CID 83211105) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate
PubChem CID83211105
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate
SMILESCCC1(C(=O)NCCOC(N)=O)CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-11(3-5-13-6-4-11)9(15)14-7-8-17-10(12)16/h13H,2-8H2,1H3,(H2,12,16)(H,14,15)
InChIKeyNGBYMDHILYWXHK-UHFFFAOYSA-N
XLogP-0.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate 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

4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
CID 82722066
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate (CID 83211105) is 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate is CCC1(C(=O)NCCOC(N)=O)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate?
The InChIKey is NGBYMDHILYWXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-11(3-5-13-6-4-11)9(15)14-7-8-17-10(12)16/h13H,2-8H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate?
2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83211105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).