1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C20H28N4O3 — CID 108552426

IUPAC1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccn3)CC2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-20(2,3)24-13-14(12-17(24)25)18(26)22-15-7-10-23(11-8-15)19(27)16-6-4-5-9-21-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,22,26)
InChIKeyUWVRXABATSJELK-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.45
Rot. Bonds3

About 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 108552426) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID108552426
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccn3)CC2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-20(2,3)24-13-14(12-17(24)25)18(26)22-15-7-10-23(11-8-15)19(27)16-6-4-5-9-21-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,22,26)
InChIKeyUWVRXABATSJELK-UHFFFAOYSA-N
XLogP1.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552482
1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552395
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 108552371
(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 97125874
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
4-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pentanamide
CID 108558110
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 108552426) is 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NC2CCN(C(=O)c3ccccn3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is UWVRXABATSJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)24-13-14(12-17(24)25)18(26)22-15-7-10-23(11-8-15)19(27)16-6-4-5-9-21-16/h4-6,9,14-15H,7-8,10-13H2,1-3H3,(H,22,26).
What are the key properties of 1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.45, 3 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-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108552426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).