1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H30N4O3 — CID 17118887

IUPAC1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c1
InChIInChI=1S/C21H30N4O3/c1-14-5-8-22-17(11-14)23-19(27)15-6-9-24(10-7-15)20(28)16-12-18(26)25(13-16)21(2,3)4/h5,8,11,15-16H,6-7,9-10,12-13H2,1-4H3,(H,22,23,27)
InChIKeyXGMALEUKEUGDMF-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.21
Rot. Bonds3

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

1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 17118887) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID17118887
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c1
InChIInChI=1S/C21H30N4O3/c1-14-5-8-22-17(11-14)23-19(27)15-6-9-24(10-7-15)20(28)16-12-18(26)25(13-16)21(2,3)4/h5,8,11,15-16H,6-7,9-10,12-13H2,1-4H3,(H,22,23,27)
InChIKeyXGMALEUKEUGDMF-UHFFFAOYSA-N
XLogP2.21
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17118877
N-(4-bromo-2-chlorophenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119139
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119048
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
N-(2-butan-2-ylphenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119046
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 17118927
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 17118887) is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c1.
What is the InChIKey of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is XGMALEUKEUGDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-5-8-22-17(11-14)23-19(27)15-6-9-24(10-7-15)20(28)16-12-18(26)25(13-16)21(2,3)4/h5,8,11,15-16H,6-7,9-10,12-13H2,1-4H3,(H,22,23,27).
What are the key properties of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.21, 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-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 17118887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).