azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone

C23H35N3O3S — CID 112759512

IUPACazepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)N1CCCCCC1
InChIInChI=1S/C23H35N3O3S/c27-23(25-15-5-1-2-6-16-25)21-19-20(30(28,29)26-17-9-4-10-18-26)11-12-22(21)24-13-7-3-8-14-24/h11-12,19H,1-10,13-18H2
InChIKeyGKNMWBFKKNCBGC-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.87
Rot. Bonds4

About azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone

azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 112759512) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID112759512
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Nameazepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)N1CCCCCC1
InChIInChI=1S/C23H35N3O3S/c27-23(25-15-5-1-2-6-16-25)21-19-20(30(28,29)26-17-9-4-10-18-26)11-12-22(21)24-13-7-3-8-14-24/h11-12,19H,1-10,13-18H2
InChIKeyGKNMWBFKKNCBGC-UHFFFAOYSA-N
XLogP3.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 55336704
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2530553
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone (CID 112759512) is azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is GKNMWBFKKNCBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c27-23(25-15-5-1-2-6-16-25)21-19-20(30(28,29)26-17-9-4-10-18-26)11-12-22(21)24-13-7-3-8-14-24/h11-12,19H,1-10,13-18H2.
What are the key properties of azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone?
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 433.62 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 112759512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).