ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

C22H33N3O5 — CID 45211835

IUPACethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C22H33N3O5/c1-7-30-21(29)17-10-8-9-11-25(17)20(28)16-13-24(14(2)3)12-15(18(16)26)19(27)23-22(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,23,27)
InChIKeyHNCVRRYLXJLJKW-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.52
Rot. Bonds5

About ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 45211835) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
PubChem CID45211835
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Nameethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C22H33N3O5/c1-7-30-21(29)17-10-8-9-11-25(17)20(28)16-13-24(14(2)3)12-15(18(16)26)19(27)23-22(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,23,27)
InChIKeyHNCVRRYLXJLJKW-UHFFFAOYSA-N
XLogP2.52
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate 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

ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 42325171
ethyl 1-[1-benzyl-4-oxo-5-(propan-2-ylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 45248986
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
CID 26361192
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (CID 45211835) is ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O.
What is the InChIKey of ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is HNCVRRYLXJLJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-7-30-21(29)17-10-8-9-11-25(17)20(28)16-13-24(14(2)3)12-15(18(16)26)19(27)23-22(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,23,27).
What are the key properties of ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 419.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 45211835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).