(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide

C20H25N3O2S — CID 126448230

IUPAC(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C20H25N3O2S/c1-3-22(4-2)20(25)17-9-6-11-23(14-17)19(24)16-8-5-7-15(13-16)18-21-10-12-26-18/h5,7-8,10,12-13,17H,3-4,6,9,11,14H2,1-2H3/t17-/m1/s1
InChIKeyCOSPTINSDCEBAV-QGZVFWFLSA-N
MW371.51 g/mol
LogP3.53
Rot. Bonds5

About (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 126448230) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
PubChem CID126448230
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C20H25N3O2S/c1-3-22(4-2)20(25)17-9-6-11-23(14-17)19(24)16-8-5-7-15(13-16)18-21-10-12-26-18/h5,7-8,10,12-13,17H,3-4,6,9,11,14H2,1-2H3/t17-/m1/s1
InChIKeyCOSPTINSDCEBAV-QGZVFWFLSA-N
XLogP3.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 119067015
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
CID 42449046
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide (CID 126448230) is (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is COSPTINSDCEBAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-22(4-2)20(25)17-9-6-11-23(14-17)19(24)16-8-5-7-15(13-16)18-21-10-12-26-18/h5,7-8,10,12-13,17H,3-4,6,9,11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 126448230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).