2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide

C17H23N5O3S — CID 131907215

IUPAC2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C17H23N5O3S/c1-14-19-7-9-21(14)13-17(23)20-10-15-4-3-8-22(12-15)26(24,25)16-5-2-6-18-11-16/h2,5-7,9,11,15H,3-4,8,10,12-13H2,1H3,(H,20,23)
InChIKeyBNIZEFFLNMWNIV-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.80
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide

2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide (PubChem CID 131907215) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide
PubChem CID131907215
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide
SMILESCc1nccn1CC(=O)NCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C17H23N5O3S/c1-14-19-7-9-21(14)13-17(23)20-10-15-4-3-8-22(12-15)26(24,25)16-5-2-6-18-11-16/h2,5-7,9,11,15H,3-4,8,10,12-13H2,1H3,(H,20,23)
InChIKeyBNIZEFFLNMWNIV-UHFFFAOYSA-N
XLogP0.80
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide (CID 131907215) is 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide is Cc1nccn1CC(=O)NCC1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide?
The InChIKey is BNIZEFFLNMWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-14-19-7-9-21(14)13-17(23)20-10-15-4-3-8-22(12-15)26(24,25)16-5-2-6-18-11-16/h2,5-7,9,11,15H,3-4,8,10,12-13H2,1H3,(H,20,23).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide?
2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 131907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).