N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide

C25H37N3O3 — CID 17119046

IUPACN-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C25H37N3O3/c1-6-17(2)20-9-7-8-10-21(20)26-23(30)18-11-13-27(14-12-18)24(31)19-15-22(29)28(16-19)25(3,4)5/h7-10,17-19H,6,11-16H2,1-5H3,(H,26,30)
InChIKeyWPDLYNGDMKXQJC-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.02
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide

N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 17119046) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID17119046
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C25H37N3O3/c1-6-17(2)20-9-7-8-10-21(20)26-23(30)18-11-13-27(14-12-18)24(31)19-15-22(29)28(16-19)25(3,4)5/h7-10,17-19H,6,11-16H2,1-5H3,(H,26,30)
InChIKeyWPDLYNGDMKXQJC-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-(4-bromo-2-chlorophenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119139
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide (CID 17119046) is N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is WPDLYNGDMKXQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-6-17(2)20-9-7-8-10-21(20)26-23(30)18-11-13-27(14-12-18)24(31)19-15-22(29)28(16-19)25(3,4)5/h7-10,17-19H,6,11-16H2,1-5H3,(H,26,30).
What are the key properties of N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17119046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).