N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C17H22ClN3OS — CID 5176494

IUPACN-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C17H22ClN3OS/c1-3-11(2)19-16(22)12-6-8-21(9-7-12)17-20-14-10-13(18)4-5-15(14)23-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyLZHWMFWYORGNBS-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.08
Rot. Bonds4

About N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 5176494) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID5176494
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC NameN-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C17H22ClN3OS/c1-3-11(2)19-16(22)12-6-8-21(9-7-12)17-20-14-10-13(18)4-5-15(14)23-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyLZHWMFWYORGNBS-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 5176494) is N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LZHWMFWYORGNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3OS/c1-3-11(2)19-16(22)12-6-8-21(9-7-12)17-20-14-10-13(18)4-5-15(14)23-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 351.90 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5176494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).