3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide

C15H19N3OS — CID 2493042

IUPAC3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c16-14(19)7-10-18-8-5-11(6-9-18)15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H2,16,19)
InChIKeyUQUGESWANPNUEW-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.35
Rot. Bonds4

About 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide

3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 2493042) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
PubChem CID2493042
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c16-14(19)7-10-18-8-5-11(6-9-18)15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H2,16,19)
InChIKeyUQUGESWANPNUEW-UHFFFAOYSA-N
XLogP2.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide (CID 2493042) is 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide is NC(=O)CCN1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is UQUGESWANPNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-14(19)7-10-18-8-5-11(6-9-18)15-17-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H2,16,19).
What are the key properties of 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 2493042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).