N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

C17H21N3O3S — CID 60521447

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2nc3ccc(OC)cc3s2)C1
InChIInChI=1S/C17H21N3O3S/c1-3-15(21)20-8-4-5-11(10-20)16(22)19-17-18-13-7-6-12(23-2)9-14(13)24-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,22)
InChIKeyYYKXVWTYWZVIDT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.89
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 60521447) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID60521447
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2nc3ccc(OC)cc3s2)C1
InChIInChI=1S/C17H21N3O3S/c1-3-15(21)20-8-4-5-11(10-20)16(22)19-17-18-13-7-6-12(23-2)9-14(13)24-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,22)
InChIKeyYYKXVWTYWZVIDT-UHFFFAOYSA-N
XLogP2.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 30706906
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 23790802
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16862782

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (CID 60521447) is N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2nc3ccc(OC)cc3s2)C1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is YYKXVWTYWZVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-15(21)20-8-4-5-11(10-20)16(22)19-17-18-13-7-6-12(23-2)9-14(13)24-17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,19,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 60521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).