10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine

C19H23N3S — CID 3051468

IUPAC10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cccnc1N2CCCN1CCCCC1
InChIInChI=1S/C19H23N3S/c1-4-12-21(13-5-1)14-7-15-22-16-8-2-3-9-17(16)23-18-10-6-11-20-19(18)22/h2-3,6,8-11H,1,4-5,7,12-15H2
InChIKeySDZKANHNDPSNKC-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.56
Rot. Bonds4

About 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine

10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine (PubChem CID 3051468) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
PubChem CID3051468
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cccnc1N2CCCN1CCCCC1
InChIInChI=1S/C19H23N3S/c1-4-12-21(13-5-1)14-7-15-22-16-8-2-3-9-17(16)23-18-10-6-11-20-19(18)22/h2-3,6,8-11H,1,4-5,7,12-15H2
InChIKeySDZKANHNDPSNKC-UHFFFAOYSA-N
XLogP4.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine (CID 3051468) is 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine is c1ccc2c(c1)Sc1cccnc1N2CCCN1CCCCC1.
What is the InChIKey of 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is SDZKANHNDPSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-4-12-21(13-5-1)14-7-15-22-16-8-2-3-9-17(16)23-18-10-6-11-20-19(18)22/h2-3,6,8-11H,1,4-5,7,12-15H2.
What are the key properties of 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine?
10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 325.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 3051468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).