1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide

C21H32N4O2 — CID 71889679

IUPAC1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C21H32N4O2/c1-16-9-7-13-22-19(16)24-20(26)17-10-8-14-25(15-17)21(27)23-18-11-5-3-2-4-6-12-18/h7,9,13,17-18H,2-6,8,10-12,14-15H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyHNNMNVJTWXUBCM-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.86
Rot. Bonds3

About 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide

1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide (PubChem CID 71889679) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
PubChem CID71889679
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C21H32N4O2/c1-16-9-7-13-22-19(16)24-20(26)17-10-8-14-25(15-17)21(27)23-18-11-5-3-2-4-6-12-18/h7,9,13,17-18H,2-6,8,10-12,14-15H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyHNNMNVJTWXUBCM-UHFFFAOYSA-N
XLogP3.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 48990471
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896170

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide (CID 71889679) is 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)NC2CCCCCCC2)C1.
What is the InChIKey of 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide?
The InChIKey is HNNMNVJTWXUBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16-9-7-13-22-19(16)24-20(26)17-10-8-14-25(15-17)21(27)23-18-11-5-3-2-4-6-12-18/h7,9,13,17-18H,2-6,8,10-12,14-15H2,1H3,(H,23,27)(H,22,24,26).
What are the key properties of 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide?
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 71889679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).