4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide

C22H23N3O2S — CID 124628939

IUPAC4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc2C1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H23N3O2S/c26-22(23-17-13-16-5-1-3-7-19(16)27-14-17)25-11-9-15(10-12-25)21-24-18-6-2-4-8-20(18)28-21/h1-8,15,17H,9-14H2,(H,23,26)/t17-/m1/s1
InChIKeyUEPPAOLRPFRSOP-QGZVFWFLSA-N
MW393.51 g/mol
LogP4.19
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide (PubChem CID 124628939) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
PubChem CID124628939
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc2C1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H23N3O2S/c26-22(23-17-13-16-5-1-3-7-19(16)27-14-17)25-11-9-15(10-12-25)21-24-18-6-2-4-8-20(18)28-21/h1-8,15,17H,9-14H2,(H,23,26)/t17-/m1/s1
InChIKeyUEPPAOLRPFRSOP-QGZVFWFLSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide (CID 124628939) is 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide is O=C(N[C@H]1COc2ccccc2C1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide?
The InChIKey is UEPPAOLRPFRSOP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-22(23-17-13-16-5-1-3-7-19(16)27-14-17)25-11-9-15(10-12-25)21-24-18-6-2-4-8-20(18)28-21/h1-8,15,17H,9-14H2,(H,23,26)/t17-/m1/s1.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124628939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).