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

C26H25N3O4S — CID 43054850

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1N(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1
InChIInChI=1S/C26H25N3O4S/c1-2-33-22-11-5-4-10-21(22)29(26-27-20-9-3-6-12-23(20)34-26)25(31)18-8-7-14-28(16-18)24(30)19-13-15-32-17-19/h3-6,9-13,15,17-18H,2,7-8,14,16H2,1H3
InChIKeyMASAZCHVEQGTDA-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.51
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 43054850) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID43054850
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1N(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1
InChIInChI=1S/C26H25N3O4S/c1-2-33-22-11-5-4-10-21(22)29(26-27-20-9-3-6-12-23(20)34-26)25(31)18-8-7-14-28(16-18)24(30)19-13-15-32-17-19/h3-6,9-13,15,17-18H,2,7-8,14,16H2,1H3
InChIKeyMASAZCHVEQGTDA-UHFFFAOYSA-N
XLogP5.51
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.51
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-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054880
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560167
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 25488819
1-(furan-3-carbonyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43056974
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 163339996
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 43054850) is N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is CCOc1ccccc1N(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is MASAZCHVEQGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-2-33-22-11-5-4-10-21(22)29(26-27-20-9-3-6-12-23(20)34-26)25(31)18-8-7-14-28(16-18)24(30)19-13-15-32-17-19/h3-6,9-13,15,17-18H,2,7-8,14,16H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 5.51, 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-(2-ethoxyphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43054850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).