1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

C21H28N4O3S — CID 43066360

IUPAC1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1
InChIInChI=1S/C21H28N4O3S/c1-14(2)20(27)25-7-3-4-15(13-25)19(26)22-16-5-6-17-18(12-16)29-21(23-17)24-8-10-28-11-9-24/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H,22,26)
InChIKeyPZMPQUIEUOISEA-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (PubChem CID 43066360) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
PubChem CID43066360
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1
InChIInChI=1S/C21H28N4O3S/c1-14(2)20(27)25-7-3-4-15(13-25)19(26)22-16-5-6-17-18(12-16)29-21(23-17)24-8-10-28-11-9-24/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H,22,26)
InChIKeyPZMPQUIEUOISEA-UHFFFAOYSA-N
XLogP2.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
(2R)-1-methylsulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 32622162
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 30706906
(2S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962243
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (CID 43066360) is 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The InChIKey is PZMPQUIEUOISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-14(2)20(27)25-7-3-4-15(13-25)19(26)22-16-5-6-17-18(12-16)29-21(23-17)24-8-10-28-11-9-24/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).