tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate

C14H25N3O3 — CID 89415444

IUPACtert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)C1CCN(C#N)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17(9-10-19-4)12-5-7-16(11-15)8-6-12/h12H,5-10H2,1-4H3
InChIKeyAQNZEMPEFSZNCD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate

tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate (PubChem CID 89415444) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate
PubChem CID89415444
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)C1CCN(C#N)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17(9-10-19-4)12-5-7-16(11-15)8-6-12/h12H,5-10H2,1-4H3
InChIKeyAQNZEMPEFSZNCD-UHFFFAOYSA-N
XLogP1.82
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
Tert-butyl 4-((oxetan-3-yl)amino)piperidine-1-carboxylate
CID 56604304
1-((Tert-butoxy)carbonyl)-4-isocyanopiperidine
CID 57804264
trans-4-Amino-1-boc-3-methoxypiperidine
CID 68054336
(3R,4S)-4-Amino-1-boc-3-methoxypiperidine
CID 57362389
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
3-Fluoro-4-morpholin-4-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 68671388
tert-butyl N-(1-cyano-3-fluoropiperidin-4-yl)-N-methylcarbamate
CID 89415721
tert-butyl N-[(3S,4R)-1-cyano-3-fluoropiperidin-4-yl]-N-methylcarbamate
CID 89418360

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate (CID 89415444) is tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate is COCCN(C(=O)OC(C)(C)C)C1CCN(C#N)CC1.
What is the InChIKey of tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate?
The InChIKey is AQNZEMPEFSZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17(9-10-19-4)12-5-7-16(11-15)8-6-12/h12H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate?
tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate has a molecular weight of 283.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyanopiperidin-4-yl)-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 89415444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).