N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide

C16H21N3OS — CID 119735647

IUPACN-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2scnc2c1)C1CCCNC1
InChIInChI=1S/C16H21N3OS/c1-11(12-3-2-6-17-9-12)7-16(20)19-13-4-5-15-14(8-13)18-10-21-15/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3,(H,19,20)
InChIKeyCUIYHEWRRRDZRP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.26
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide

N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119735647) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide
PubChem CID119735647
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2scnc2c1)C1CCCNC1
InChIInChI=1S/C16H21N3OS/c1-11(12-3-2-6-17-9-12)7-16(20)19-13-4-5-15-14(8-13)18-10-21-15/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3,(H,19,20)
InChIKeyCUIYHEWRRRDZRP-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-3-ylbutanamide
CID 119808164

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide (CID 119735647) is N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc2scnc2c1)C1CCCNC1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is CUIYHEWRRRDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(12-3-2-6-17-9-12)7-16(20)19-13-4-5-15-14(8-13)18-10-21-15/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide?
N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 303.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119735647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).