methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

C24H29N3O5 — CID 25365815

IUPACmethyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O5/c1-16(2)26-14-18(22(29)25-13-17-9-5-4-6-10-17)21(28)19(15-26)23(30)27-12-8-7-11-20(27)24(31)32-3/h4-6,9-10,14-16,20H,7-8,11-13H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyBBGVCWGGFPFAAC-HXUWFJFHSA-N
MW439.51 g/mol
LogP2.53
Rot. Bonds6

About methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 25365815) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
PubChem CID25365815
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Namemethyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O5/c1-16(2)26-14-18(22(29)25-13-17-9-5-4-6-10-17)21(28)19(15-26)23(30)27-12-8-7-11-20(27)24(31)32-3/h4-6,9-10,14-16,20H,7-8,11-13H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyBBGVCWGGFPFAAC-HXUWFJFHSA-N
XLogP2.53
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-1-[5-(benzylcarbamoyl)-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

N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 42325171
ethyl 1-[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 45211835
ethyl 1-[1-benzyl-4-oxo-5-(propan-2-ylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 45248986
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
CID 26361192
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42277870
5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45247281
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (CID 25365815) is methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is BBGVCWGGFPFAAC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16(2)26-14-18(22(29)25-13-17-9-5-4-6-10-17)21(28)19(15-26)23(30)27-12-8-7-11-20(27)24(31)32-3/h4-6,9-10,14-16,20H,7-8,11-13H2,1-3H3,(H,25,29)/t20-/m1/s1.
What are the key properties of methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 25365815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).