1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide

C16H19N3OS — CID 24792280

IUPAC1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H19N3OS/c20-15(17-12-5-6-12)11-7-9-19(10-8-11)16-18-13-3-1-2-4-14(13)21-16/h1-4,11-12H,5-10H2,(H,17,20)
InChIKeySZLQXUZOEAIDEE-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.79
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide

1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 24792280) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID24792280
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H19N3OS/c20-15(17-12-5-6-12)11-7-9-19(10-8-11)16-18-13-3-1-2-4-14(13)21-16/h1-4,11-12H,5-10H2,(H,17,20)
InChIKeySZLQXUZOEAIDEE-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide (CID 24792280) is 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is SZLQXUZOEAIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(17-12-5-6-12)11-7-9-19(10-8-11)16-18-13-3-1-2-4-14(13)21-16/h1-4,11-12H,5-10H2,(H,17,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 24792280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).