N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide

C12H23N3O3 — CID 106236645

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCCOCC(N)=O)CCCNC1
InChIInChI=1S/C12H23N3O3/c1-2-12(4-3-5-14-9-12)11(17)15-6-7-18-8-10(13)16/h14H,2-9H2,1H3,(H2,13,16)(H,15,17)
InChIKeySTZQTEGNGYCCTN-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.62
Rot. Bonds7

About N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide (PubChem CID 106236645) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
PubChem CID106236645
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NCCOCC(N)=O)CCCNC1
InChIInChI=1S/C12H23N3O3/c1-2-12(4-3-5-14-9-12)11(17)15-6-7-18-8-10(13)16/h14H,2-9H2,1H3,(H2,13,16)(H,15,17)
InChIKeySTZQTEGNGYCCTN-UHFFFAOYSA-N
XLogP-0.62
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260889
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
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-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide (CID 106236645) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)NCCOCC(N)=O)CCCNC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide?
The InChIKey is STZQTEGNGYCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-12(4-3-5-14-9-12)11(17)15-6-7-18-8-10(13)16/h14H,2-9H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 106236645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).