1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine

C25H25N3O2S — CID 90494567

IUPAC1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-31(30,24-11-10-21-6-4-5-9-23(21)18-24)28-15-12-20(13-16-28)19-27-17-14-26-25(27)22-7-2-1-3-8-22/h1-11,14,17-18,20H,12-13,15-16,19H2
InChIKeyLKPBISLYIGYXKV-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.80
Rot. Bonds5

About 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine

1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine (PubChem CID 90494567) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
PubChem CID90494567
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-31(30,24-11-10-21-6-4-5-9-23(21)18-24)28-15-12-20(13-16-28)19-27-17-14-26-25(27)22-7-2-1-3-8-22/h1-11,14,17-18,20H,12-13,15-16,19H2
InChIKeyLKPBISLYIGYXKV-UHFFFAOYSA-N
XLogP4.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494589
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90492931
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine (CID 90494567) is 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine is O=S(=O)(c1ccc2ccccc2c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The InChIKey is LKPBISLYIGYXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-31(30,24-11-10-21-6-4-5-9-23(21)18-24)28-15-12-20(13-16-28)19-27-17-14-26-25(27)22-7-2-1-3-8-22/h1-11,14,17-18,20H,12-13,15-16,19H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine has a molecular weight of 431.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).