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

C18H24N4O2S — CID 172881655

IUPACN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20(18(23)22-10-12-24-13-11-22)14-6-8-21(9-7-14)17-19-15-4-2-3-5-16(15)25-17/h2-5,14H,6-13H2,1H3
InChIKeyNITRQHVJDKBDGH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.65
Rot. Bonds2

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

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 172881655) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
PubChem CID172881655
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20(18(23)22-10-12-24-13-11-22)14-6-8-21(9-7-14)17-19-15-4-2-3-5-16(15)25-17/h2-5,14H,6-13H2,1H3
InChIKeyNITRQHVJDKBDGH-UHFFFAOYSA-N
XLogP2.65
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435612
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone
CID 9047276
[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone
CID 1499975
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide (CID 172881655) is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)C1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is NITRQHVJDKBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-20(18(23)22-10-12-24-13-11-22)14-6-8-21(9-7-14)17-19-15-4-2-3-5-16(15)25-17/h2-5,14H,6-13H2,1H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 172881655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).