1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C25H32N4O3 — CID 108552395

IUPAC1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)CC1=O
InChIInChI=1S/C25H32N4O3/c1-25(2,3)29-17-19(16-22(29)30)23(31)26-20-10-14-28(15-11-20)24(32)18-6-8-21(9-7-18)27-12-4-5-13-27/h4-9,12-13,19-20H,10-11,14-17H2,1-3H3,(H,26,31)
InChIKeyOUFPCWKVZNKIED-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.85
Rot. Bonds4

About 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 108552395) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID108552395
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)CC1=O
InChIInChI=1S/C25H32N4O3/c1-25(2,3)29-17-19(16-22(29)30)23(31)26-20-10-14-28(15-11-20)24(32)18-6-8-21(9-7-18)27-12-4-5-13-27/h4-9,12-13,19-20H,10-11,14-17H2,1-3H3,(H,26,31)
InChIKeyOUFPCWKVZNKIED-UHFFFAOYSA-N
XLogP2.85
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552426
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 108552371
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555927

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 108552395) is 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is OUFPCWKVZNKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,3)29-17-19(16-22(29)30)23(31)26-20-10-14-28(15-11-20)24(32)18-6-8-21(9-7-18)27-12-4-5-13-27/h4-9,12-13,19-20H,10-11,14-17H2,1-3H3,(H,26,31).
What are the key properties of 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108552395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).