(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C22H24N4O2S — CID 51950753

IUPAC(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1
InChIInChI=1S/C22H24N4O2S/c27-20(16-7-2-1-3-8-16)23-12-13-24-21(28)17-9-6-14-26(15-17)22-25-18-10-4-5-11-19(18)29-22/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,28)/t17-/m1/s1
InChIKeyCLZZAQZWSIIDGM-QGZVFWFLSA-N
MW408.53 g/mol
LogP3.06
Rot. Bonds6

About (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51950753) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID51950753
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1
InChIInChI=1S/C22H24N4O2S/c27-20(16-7-2-1-3-8-16)23-12-13-24-21(28)17-9-6-14-26(15-17)22-25-18-10-4-5-11-19(18)29-22/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,28)/t17-/m1/s1
InChIKeyCLZZAQZWSIIDGM-QGZVFWFLSA-N
XLogP3.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
1-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47047183
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
1-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidine-3-carboxamide
CID 90609919
(3R)-1-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 7436396
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90609923
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 51950753) is (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(NCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1.
What is the InChIKey of (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CLZZAQZWSIIDGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-20(16-7-2-1-3-8-16)23-12-13-24-21(28)17-9-6-14-26(15-17)22-25-18-10-4-5-11-19(18)29-22/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,28)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51950753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).