(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide

C19H26N4O4S — CID 7014300

IUPAC(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1
InChIInChI=1S/C19H26N4O4S/c24-19(20-15-8-3-1-2-4-9-15)14-7-6-12-23(13-14)28(25,26)17-11-5-10-16-18(17)22-27-21-16/h5,10-11,14-15H,1-4,6-9,12-13H2,(H,20,24)/t14-/m1/s1
InChIKeyFCFMAZONURIEES-CQSZACIVSA-N
MW406.51 g/mol
LogP2.46
Rot. Bonds4

About (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide

(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 7014300) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
PubChem CID7014300
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1
InChIInChI=1S/C19H26N4O4S/c24-19(20-15-8-3-1-2-4-9-15)14-7-6-12-23(13-14)28(25,26)17-11-5-10-16-18(17)22-27-21-16/h5,10-11,14-15H,1-4,6-9,12-13H2,(H,20,24)/t14-/m1/s1
InChIKeyFCFMAZONURIEES-CQSZACIVSA-N
XLogP2.46
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 22430705
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 15993913
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 22586204
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 15994367
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide (CID 7014300) is (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1.
What is the InChIKey of (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is FCFMAZONURIEES-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O4S/c24-19(20-15-8-3-1-2-4-9-15)14-7-6-12-23(13-14)28(25,26)17-11-5-10-16-18(17)22-27-21-16/h5,10-11,14-15H,1-4,6-9,12-13H2,(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide?
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 7014300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).