1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C22H24N4O4S — CID 3240657

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C22H24N4O4S/c27-22(23-18-8-3-6-15-5-1-2-7-17(15)18)16-11-13-26(14-12-16)31(28,29)20-10-4-9-19-21(20)25-30-24-19/h1-2,4-5,7,9-10,16,18H,3,6,8,11-14H2,(H,23,27)
InChIKeyTWJLSCKAWHOBAV-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.82
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 3240657) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID3240657
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C22H24N4O4S/c27-22(23-18-8-3-6-15-5-1-2-7-17(15)18)16-11-13-26(14-12-16)31(28,29)20-10-4-9-19-21(20)25-30-24-19/h1-2,4-5,7,9-10,16,18H,3,6,8,11-14H2,(H,23,27)
InChIKeyTWJLSCKAWHOBAV-UHFFFAOYSA-N
XLogP2.82
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 3240657) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is TWJLSCKAWHOBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-22(23-18-8-3-6-15-5-1-2-7-17(15)18)16-11-13-26(14-12-16)31(28,29)20-10-4-9-19-21(20)25-30-24-19/h1-2,4-5,7,9-10,16,18H,3,6,8,11-14H2,(H,23,27).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3240657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).