N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide

C18H24N4O3S — CID 96577296

IUPACN-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-20-12-10-19-17(20)15-5-4-11-22(13-15)18(23)14-6-8-16(9-7-14)21(2)26(3,24)25/h6-10,12,15H,4-5,11,13H2,1-3H3/t15-/m1/s1
InChIKeyGZSQLAMBWAMDAS-OAHLLOKOSA-N
MW376.48 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide

N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 96577296) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID96577296
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-20-12-10-19-17(20)15-5-4-11-22(13-15)18(23)14-6-8-16(9-7-14)21(2)26(3,24)25/h6-10,12,15H,4-5,11,13H2,1-3H3/t15-/m1/s1
InChIKeyGZSQLAMBWAMDAS-OAHLLOKOSA-N
XLogP1.84
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 96577296) is N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide is CN(c1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is GZSQLAMBWAMDAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20-12-10-19-17(20)15-5-4-11-22(13-15)18(23)14-6-8-16(9-7-14)21(2)26(3,24)25/h6-10,12,15H,4-5,11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 96577296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).