(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide

C14H17N3OS — CID 103808102

IUPAC(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)[C@H]1CCCCN1
InChIInChI=1S/C14H17N3OS/c18-14(11-6-3-4-8-15-11)16-9-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,11,15H,3-4,6,8-9H2,(H,16,18)/t11-/m1/s1
InChIKeyFSZDHMWBKRTXRK-LLVKDONJSA-N
MW275.38 g/mol
LogP2.05
Rot. Bonds3

About (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide

(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 103808102) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
PubChem CID103808102
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)[C@H]1CCCCN1
InChIInChI=1S/C14H17N3OS/c18-14(11-6-3-4-8-15-11)16-9-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,11,15H,3-4,6,8-9H2,(H,16,18)/t11-/m1/s1
InChIKeyFSZDHMWBKRTXRK-LLVKDONJSA-N
XLogP2.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide (CID 103808102) is (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide is O=C(NCc1nc2ccccc2s1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is FSZDHMWBKRTXRK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(11-6-3-4-8-15-11)16-9-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,11,15H,3-4,6,8-9H2,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide?
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).