N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide

C18H23N3OS — CID 171328840

IUPACN-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc2nc(N3CCC(N(C)C(=O)C4CC4)CC3)sc2c1
InChIInChI=1S/C18H23N3OS/c1-12-3-6-15-16(11-12)23-18(19-15)21-9-7-14(8-10-21)20(2)17(22)13-4-5-13/h3,6,11,13-14H,4-5,7-10H2,1-2H3
InChIKeyOILJTRVPDHCLDN-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.44
Rot. Bonds3

About N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide

N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 171328840) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID171328840
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc2nc(N3CCC(N(C)C(=O)C4CC4)CC3)sc2c1
InChIInChI=1S/C18H23N3OS/c1-12-3-6-15-16(11-12)23-18(19-15)21-9-7-14(8-10-21)20(2)17(22)13-4-5-13/h3,6,11,13-14H,4-5,7-10H2,1-2H3
InChIKeyOILJTRVPDHCLDN-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903419
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328849
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide (CID 171328840) is N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide is Cc1ccc2nc(N3CCC(N(C)C(=O)C4CC4)CC3)sc2c1.
What is the InChIKey of N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is OILJTRVPDHCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-3-6-15-16(11-12)23-18(19-15)21-9-7-14(8-10-21)20(2)17(22)13-4-5-13/h3,6,11,13-14H,4-5,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide?
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171328840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).