1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide

C18H27N3O2S — CID 72842561

IUPAC1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCc2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H27N3O2S/c1-2-17(22)21-11-5-6-13(12-21)18(23)19-10-9-16-20-14-7-3-4-8-15(14)24-16/h13H,2-12H2,1H3,(H,19,23)
InChIKeySJVVDNANYGYKOM-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.33
Rot. Bonds5

About 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide

1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72842561) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID72842561
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCc2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H27N3O2S/c1-2-17(22)21-11-5-6-13(12-21)18(23)19-10-9-16-20-14-7-3-4-8-15(14)24-16/h13H,2-12H2,1H3,(H,19,23)
InChIKeySJVVDNANYGYKOM-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 72842561) is 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCCc2nc3c(s2)CCCC3)C1.
What is the InChIKey of 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is SJVVDNANYGYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-2-17(22)21-11-5-6-13(12-21)18(23)19-10-9-16-20-14-7-3-4-8-15(14)24-16/h13H,2-12H2,1H3,(H,19,23).
What are the key properties of 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72842561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).