1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide

C23H24FN3OS — CID 60516773

IUPAC1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C23H24FN3OS/c24-18-9-7-17(8-10-18)23(11-12-23)15-25-21(28)16-4-3-13-27(14-16)22-26-19-5-1-2-6-20(19)29-22/h1-2,5-10,16H,3-4,11-15H2,(H,25,28)
InChIKeyQDWIOUCMLTXMGD-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.50
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide (PubChem CID 60516773) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
PubChem CID60516773
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C23H24FN3OS/c24-18-9-7-17(8-10-18)23(11-12-23)15-25-21(28)16-4-3-13-27(14-16)22-26-19-5-1-2-6-20(19)29-22/h1-2,5-10,16H,3-4,11-15H2,(H,25,28)
InChIKeyQDWIOUCMLTXMGD-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide (CID 60516773) is 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The InChIKey is QDWIOUCMLTXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-18-9-7-17(8-10-18)23(11-12-23)15-25-21(28)16-4-3-13-27(14-16)22-26-19-5-1-2-6-20(19)29-22/h1-2,5-10,16H,3-4,11-15H2,(H,25,28).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 60516773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).