N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide

C22H24ClN3O2S — CID 20886267

IUPACN-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)N2CCSc3ccccc32)CC1
InChIInChI=1S/C22H24ClN3O2S/c23-18-6-2-1-5-17(18)15-24-21(27)16-9-11-25(12-10-16)22(28)26-13-14-29-20-8-4-3-7-19(20)26/h1-8,16H,9-15H2,(H,24,27)
InChIKeyGTALNNZBGJNWFV-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.40
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 20886267) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide
PubChem CID20886267
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)N2CCSc3ccccc32)CC1
InChIInChI=1S/C22H24ClN3O2S/c23-18-6-2-1-5-17(18)15-24-21(27)16-9-11-25(12-10-16)22(28)26-13-14-29-20-8-4-3-7-19(20)26/h1-8,16H,9-15H2,(H,24,27)
InChIKeyGTALNNZBGJNWFV-UHFFFAOYSA-N
XLogP4.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-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

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152804
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone
CID 110742076
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
CID 122558552
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide (CID 20886267) is N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(C(=O)N2CCSc3ccccc32)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is GTALNNZBGJNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c23-18-6-2-1-5-17(18)15-24-21(27)16-9-11-25(12-10-16)22(28)26-13-14-29-20-8-4-3-7-19(20)26/h1-8,16H,9-15H2,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 429.97 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20886267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).