N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

C19H26BrN3O4 — CID 108552371

IUPACN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1=O
InChIInChI=1S/C19H26BrN3O4/c1-19(2,3)23-11-12(10-16(23)24)17(25)21-13-6-8-22(9-7-13)18(26)14-4-5-15(20)27-14/h4-5,12-13H,6-11H2,1-3H3,(H,21,25)
InChIKeyLVNLQNKGCMGVGL-UHFFFAOYSA-N
MW440.34 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 108552371) has the molecular formula C19H26BrN3O4 and a molecular weight of 440.34 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID108552371
Molecular FormulaC19H26BrN3O4
Molecular Weight440.34 g/mol
Exact Mass439.11
IUPAC NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1=O
InChIInChI=1S/C19H26BrN3O4/c1-19(2,3)23-11-12(10-16(23)24)17(25)21-13-6-8-22(9-7-13)18(26)14-4-5-15(20)27-14/h4-5,12-13H,6-11H2,1-3H3,(H,21,25)
InChIKeyLVNLQNKGCMGVGL-UHFFFAOYSA-N
XLogP2.41
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 52.41
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
1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552395
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
tert-butyl N-[3-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548249
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 108552371) is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1=O.
What is the InChIKey of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LVNLQNKGCMGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O4/c1-19(2,3)23-11-12(10-16(23)24)17(25)21-13-6-8-22(9-7-13)18(26)14-4-5-15(20)27-14/h4-5,12-13H,6-11H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108552371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).