N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H24ClN3OS — CID 119679567

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc2sc(NC(=O)CC(C)C3CCCNC3)nc12.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-11-5-3-7-14-16(11)20-17(22-14)19-15(21)9-12(2)13-6-4-8-18-10-13;/h3,5,7,12-13,18H,4,6,8-10H2,1-2H3,(H,19,20,21);1H
InChIKeyNOPXTLPYTMNAOT-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.99
Rot. Bonds4

About N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119679567) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119679567
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc2sc(NC(=O)CC(C)C3CCCNC3)nc12.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-11-5-3-7-14-16(11)20-17(22-14)19-15(21)9-12(2)13-6-4-8-18-10-13;/h3,5,7,12-13,18H,4,6,8-10H2,1-2H3,(H,19,20,21);1H
InChIKeyNOPXTLPYTMNAOT-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119820458
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119687328
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119676658

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119679567) is N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cccc2sc(NC(=O)CC(C)C3CCCNC3)nc12.Cl.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is NOPXTLPYTMNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.ClH/c1-11-5-3-7-14-16(11)20-17(22-14)19-15(21)9-12(2)13-6-4-8-18-10-13;/h3,5,7,12-13,18H,4,6,8-10H2,1-2H3,(H,19,20,21);1H.
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119679567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).