N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide

C20H19N3O3S — CID 51324893

IUPACN-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19N3O3S/c24-15-7-5-13(6-8-15)18(25)14-9-11-23(12-10-14)20(26)22-19-21-16-3-1-2-4-17(16)27-19/h1-8,14,24H,9-12H2,(H,21,22,26)
InChIKeyAEQYYSGGKKYVNX-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.13
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide (PubChem CID 51324893) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
PubChem CID51324893
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19N3O3S/c24-15-7-5-13(6-8-15)18(25)14-9-11-23(12-10-14)20(26)22-19-21-16-3-1-2-4-17(16)27-19/h1-8,14,24H,9-12H2,(H,21,22,26)
InChIKeyAEQYYSGGKKYVNX-UHFFFAOYSA-N
XLogP4.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboxamide
CID 171422794
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 8882216
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 30269694
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide (CID 51324893) is N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide is O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide?
The InChIKey is AEQYYSGGKKYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-15-7-5-13(6-8-15)18(25)14-9-11-23(12-10-14)20(26)22-19-21-16-3-1-2-4-17(16)27-19/h1-8,14,24H,9-12H2,(H,21,22,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 51324893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).