1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide

C20H28N4O3 — CID 17118953

IUPAC1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCC(C)(C)N1CC(C(=O)N2CCC(C(=O)Nc3cccnc3)CC2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-20(2,3)24-13-15(11-17(24)25)19(27)23-9-6-14(7-10-23)18(26)22-16-5-4-8-21-12-16/h4-5,8,12,14-15H,6-7,9-11,13H2,1-3H3,(H,22,26)
InChIKeyKGLASRVUDUZQSU-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.91
Rot. Bonds3

About 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide

1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 17118953) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID17118953
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCC(C)(C)N1CC(C(=O)N2CCC(C(=O)Nc3cccnc3)CC2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-20(2,3)24-13-15(11-17(24)25)19(27)23-9-6-14(7-10-23)18(26)22-16-5-4-8-21-12-16/h4-5,8,12,14-15H,6-7,9-11,13H2,1-3H3,(H,22,26)
InChIKeyKGLASRVUDUZQSU-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118634
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17118877
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17118887
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119048
N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119046
N-(4-bromo-2-chlorophenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119139
N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926307
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 17118927
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide (CID 17118953) is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide is CC(C)(C)N1CC(C(=O)N2CCC(C(=O)Nc3cccnc3)CC2)CC1=O.
What is the InChIKey of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is KGLASRVUDUZQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)24-13-15(11-17(24)25)19(27)23-9-6-14(7-10-23)18(26)22-16-5-4-8-21-12-16/h4-5,8,12,14-15H,6-7,9-11,13H2,1-3H3,(H,22,26).
What are the key properties of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 17118953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).