ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate

C24H33N3O5 — CID 17153490

IUPACethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1=O
InChIInChI=1S/C24H33N3O5/c1-3-5-12-27-16-19(15-21(27)28)22(29)25-20-8-6-17(7-9-20)23(30)26-13-10-18(11-14-26)24(31)32-4-2/h6-9,18-19H,3-5,10-16H2,1-2H3,(H,25,29)
InChIKeyOVIPEHBFDSVPHI-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.69
Rot. Bonds8

About ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate

ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate (PubChem CID 17153490) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
PubChem CID17153490
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Nameethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1=O
InChIInChI=1S/C24H33N3O5/c1-3-5-12-27-16-19(15-21(27)28)22(29)25-20-8-6-17(7-9-20)23(30)26-13-10-18(11-14-26)24(31)32-4-2/h6-9,18-19H,3-5,10-16H2,1-2H3,(H,25,29)
InChIKeyOVIPEHBFDSVPHI-UHFFFAOYSA-N
XLogP2.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
(3R)-1-[4-[[(3R)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]piperidine-3-carboxylic acid
CID 94830864
1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153454
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153499
1-butyl-N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153436
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
1-butyl-N-[4-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153630
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
ethyl 1-[4-[(3-aminocyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797282
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate (CID 17153490) is ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate is CCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1=O.
What is the InChIKey of ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate?
The InChIKey is OVIPEHBFDSVPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-3-5-12-27-16-19(15-21(27)28)22(29)25-20-8-6-17(7-9-20)23(30)26-13-10-18(11-14-26)24(31)32-4-2/h6-9,18-19H,3-5,10-16H2,1-2H3,(H,25,29).
What are the key properties of ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate has a molecular weight of 443.54 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 17153490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).