1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide

C25H32N4O4S — CID 17415594

IUPAC1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-4-29(5-2)34(31,32)21-12-10-19(11-13-21)18(3)26-24(30)20-14-16-28(17-15-20)25-27-22-8-6-7-9-23(22)33-25/h6-13,18,20H,4-5,14-17H2,1-3H3,(H,26,30)
InChIKeyMCVCJYSDYZIEOT-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.95
Rot. Bonds8

About 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 17415594) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID17415594
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-4-29(5-2)34(31,32)21-12-10-19(11-13-21)18(3)26-24(30)20-14-16-28(17-15-20)25-27-22-8-6-7-9-23(22)33-25/h6-13,18,20H,4-5,14-17H2,1-3H3,(H,26,30)
InChIKeyMCVCJYSDYZIEOT-UHFFFAOYSA-N
XLogP3.95
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 26002595
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 134036511
N-(1-amino-4-methylpentan-2-yl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119588066
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 16602272
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-(diethylsulfamoyl)benzamide
CID 90619125
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide (CID 17415594) is 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is MCVCJYSDYZIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-4-29(5-2)34(31,32)21-12-10-19(11-13-21)18(3)26-24(30)20-14-16-28(17-15-20)25-27-22-8-6-7-9-23(22)33-25/h6-13,18,20H,4-5,14-17H2,1-3H3,(H,26,30).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 17415594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).