N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C26H25N3O3S2 — CID 55560167

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(N(C(=O)C2CCCN(C(=O)c3cccs3)C2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H25N3O3S2/c1-2-32-20-13-11-19(12-14-20)29(26-27-21-8-3-4-9-22(21)34-26)24(30)18-7-5-15-28(17-18)25(31)23-10-6-16-33-23/h3-4,6,8-14,16,18H,2,5,7,15,17H2,1H3
InChIKeySBPFMFPYXYKRLY-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.97
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55560167) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55560167
Molecular FormulaC26H25N3O3S2
Molecular Weight491.64 g/mol
Exact Mass491.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(N(C(=O)C2CCCN(C(=O)c3cccs3)C2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H25N3O3S2/c1-2-32-20-13-11-19(12-14-20)29(26-27-21-8-3-4-9-22(21)34-26)24(30)18-7-5-15-28(17-18)25(31)23-10-6-16-33-23/h3-4,6,8-14,16,18H,2,5,7,15,17H2,1H3
InChIKeySBPFMFPYXYKRLY-UHFFFAOYSA-N
XLogP5.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624087
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
CID 75981701
N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054850
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977455
(3S)-N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41214666
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 9166952
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46636011
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55560167) is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCOc1ccc(N(C(=O)C2CCCN(C(=O)c3cccs3)C2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is SBPFMFPYXYKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-2-32-20-13-11-19(12-14-20)29(26-27-21-8-3-4-9-22(21)34-26)24(30)18-7-5-15-28(17-18)25(31)23-10-6-16-33-23/h3-4,6,8-14,16,18H,2,5,7,15,17H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55560167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).