N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

C19H20N4O2S — CID 72904604

IUPACN-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C19H20N4O2S/c24-19(22-15-5-6-18-17(9-15)21-13-26-18)23-8-2-4-16(11-23)25-12-14-3-1-7-20-10-14/h1,3,5-7,9-10,13,16H,2,4,8,11-12H2,(H,22,24)
InChIKeySRMPIOZEZMFOGZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.90
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (PubChem CID 72904604) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
PubChem CID72904604
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C19H20N4O2S/c24-19(22-15-5-6-18-17(9-15)21-13-26-18)23-8-2-4-16(11-23)25-12-14-3-1-7-20-10-14/h1,3,5-7,9-10,13,16H,2,4,8,11-12H2,(H,22,24)
InChIKeySRMPIOZEZMFOGZ-UHFFFAOYSA-N
XLogP3.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70786893
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 70786365
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (CID 72904604) is N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is O=C(Nc1ccc2scnc2c1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is SRMPIOZEZMFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(22-15-5-6-18-17(9-15)21-13-26-18)23-8-2-4-16(11-23)25-12-14-3-1-7-20-10-14/h1,3,5-7,9-10,13,16H,2,4,8,11-12H2,(H,22,24).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 72904604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).