1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

C21H29N5O2 — CID 87023017

IUPAC1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-15-22-9-12-26(15)18-6-5-16(13-23-18)14-24-19(27)17-7-10-25(11-8-17)20(28)21(2,3)4/h5-6,9,12-13,17H,7-8,10-11,14H2,1-4H3,(H,24,27)
InChIKeyPJLODJJHQSOVHE-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.48
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 87023017) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID87023017
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-15-22-9-12-26(15)18-6-5-16(13-23-18)14-24-19(27)17-7-10-25(11-8-17)20(28)21(2,3)4/h5-6,9,12-13,17H,7-8,10-11,14H2,1-4H3,(H,24,27)
InChIKeyPJLODJJHQSOVHE-UHFFFAOYSA-N
XLogP2.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119848273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
3-benzyl-N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111724887
1-tert-butyl-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110964469

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 87023017) is 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is Cc1nccn1-c1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is PJLODJJHQSOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-22-9-12-26(15)18-6-5-16(13-23-18)14-24-19(27)17-7-10-25(11-8-17)20(28)21(2,3)4/h5-6,9,12-13,17H,7-8,10-11,14H2,1-4H3,(H,24,27).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87023017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).