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

C14H18ClN3OS — CID 119269748

IUPACN-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C14H17N3OS.ClH/c18-14(10-4-3-7-15-8-10)16-9-13-17-11-5-1-2-6-12(11)19-13;/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,18);1H
InChIKeyJUCXOOCPOACWBM-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.33
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119269748) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119269748
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C14H17N3OS.ClH/c18-14(10-4-3-7-15-8-10)16-9-13-17-11-5-1-2-6-12(11)19-13;/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,18);1H
InChIKeyJUCXOOCPOACWBM-UHFFFAOYSA-N
XLogP2.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119268822
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
CID 119268823
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119269748) is N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1nc2ccccc2s1)C1CCCNC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JUCXOOCPOACWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c18-14(10-4-3-7-15-8-10)16-9-13-17-11-5-1-2-6-12(11)19-13;/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,18);1H.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119269748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).