ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate

C24H29N3O5 — CID 26361192

IUPACethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@@H]2C(=O)OCC)c1=O
InChIInChI=1S/C24H29N3O5/c1-3-25-22(29)18-15-26(14-17-10-6-5-7-11-17)16-19(21(18)28)23(30)27-13-9-8-12-20(27)24(31)32-4-2/h5-7,10-11,15-16,20H,3-4,8-9,12-14H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyDTRDVINAMMAOAE-HXUWFJFHSA-N
MW439.51 g/mol
LogP2.20
Rot. Bonds7

About ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate

ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 26361192) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
PubChem CID26361192
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@@H]2C(=O)OCC)c1=O
InChIInChI=1S/C24H29N3O5/c1-3-25-22(29)18-15-26(14-17-10-6-5-7-11-17)16-19(21(18)28)23(30)27-13-9-8-12-20(27)24(31)32-4-2/h5-7,10-11,15-16,20H,3-4,8-9,12-14H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyDTRDVINAMMAOAE-HXUWFJFHSA-N
XLogP2.20
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[1-benzyl-4-oxo-5-(propan-2-ylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 45248986
ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 42325171
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 45211835
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate (CID 26361192) is ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate is CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@@H]2C(=O)OCC)c1=O.
What is the InChIKey of ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is DTRDVINAMMAOAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-25-22(29)18-15-26(14-17-10-6-5-7-11-17)16-19(21(18)28)23(30)27-13-9-8-12-20(27)24(31)32-4-2/h5-7,10-11,15-16,20H,3-4,8-9,12-14H2,1-2H3,(H,25,29)/t20-/m1/s1.
What are the key properties of ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate?
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 26361192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).