(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide

C15H17N3O2S — CID 172908629

IUPAC(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ncsc23)C1
InChIInChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
InChIKeyWGNHPXNYNNGWCO-NSHDSACASA-N
MW303.39 g/mol
LogP1.56
Rot. Bonds3

About (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide (PubChem CID 172908629) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
PubChem CID172908629
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ncsc23)C1
InChIInChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
InChIKeyWGNHPXNYNNGWCO-NSHDSACASA-N
XLogP1.56
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172675086
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 94176937
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide (CID 172908629) is (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ncsc23)C1.
What is the InChIKey of (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is WGNHPXNYNNGWCO-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).