(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

C18H18N4O2S — CID 94461774

IUPAC(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C18H18N4O2S/c23-15-7-8-19-10-14(15)20-17(24)12-4-3-9-22(11-12)18-21-13-5-1-2-6-16(13)25-18/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyUKNJVIKQZIVCGC-GFCCVEGCSA-N
MW354.44 g/mol
LogP2.84
Rot. Bonds3

About (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 94461774) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
PubChem CID94461774
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C18H18N4O2S/c23-15-7-8-19-10-14(15)20-17(24)12-4-3-9-22(11-12)18-21-13-5-1-2-6-16(13)25-18/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23)(H,20,24)/t12-/m1/s1
InChIKeyUKNJVIKQZIVCGC-GFCCVEGCSA-N
XLogP2.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 97018001
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
1-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 42961937
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide (CID 94461774) is (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is UKNJVIKQZIVCGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-15-7-8-19-10-14(15)20-17(24)12-4-3-9-22(11-12)18-21-13-5-1-2-6-16(13)25-18/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23)(H,20,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide?
(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94461774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).