azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone

C21H26N2O2S — CID 24643105

IUPACazepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C21H26N2O2S/c24-20(22-11-5-1-2-6-12-22)16-9-13-23(14-10-16)21(25)18-15-26-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,1-2,5-6,9-14H2
InChIKeyLXMOSANKPZYGCB-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.16
Rot. Bonds2

About azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 24643105) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
PubChem CID24643105
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Nameazepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C21H26N2O2S/c24-20(22-11-5-1-2-6-12-22)16-9-13-23(14-10-16)21(25)18-15-26-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,1-2,5-6,9-14H2
InChIKeyLXMOSANKPZYGCB-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
CID 75433786
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 166435479
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone (CID 24643105) is azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone is O=C(c1csc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is LXMOSANKPZYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-20(22-11-5-1-2-6-12-22)16-9-13-23(14-10-16)21(25)18-15-26-19-8-4-3-7-17(18)19/h3-4,7-8,15-16H,1-2,5-6,9-14H2.
What are the key properties of azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 370.52 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 24643105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).