N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide

C19H26N4O3S — CID 172892330

IUPACN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc2sc(N3CCCC(N(C)C(=O)N4CCOCC4)C3)nc2c1
InChIInChI=1S/C19H26N4O3S/c1-21(19(24)22-8-10-26-11-9-22)14-4-3-7-23(13-14)18-20-16-12-15(25-2)5-6-17(16)27-18/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyLPVUZVDDDLKIQV-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 172892330) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
PubChem CID172892330
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc2sc(N3CCCC(N(C)C(=O)N4CCOCC4)C3)nc2c1
InChIInChI=1S/C19H26N4O3S/c1-21(19(24)22-8-10-26-11-9-22)14-4-3-7-23(13-14)18-20-16-12-15(25-2)5-6-17(16)27-18/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyLPVUZVDDDLKIQV-UHFFFAOYSA-N
XLogP2.66
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997837
1-[4-(5-methoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171336024
tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 71647039
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)morpholine-4-carboxamide
CID 172892057
ethyl 1-[1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 121128642
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide (CID 172892330) is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide is COc1ccc2sc(N3CCCC(N(C)C(=O)N4CCOCC4)C3)nc2c1.
What is the InChIKey of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is LPVUZVDDDLKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-21(19(24)22-8-10-26-11-9-22)14-4-3-7-23(13-14)18-20-16-12-15(25-2)5-6-17(16)27-18/h5-6,12,14H,3-4,7-11,13H2,1-2H3.
What are the key properties of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 172892330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).