4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide

C27H34N4O3S — CID 50776866

IUPAC4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C(=O)CS2
InChIInChI=1S/C27H34N4O3S/c1-3-30(4-2)27(34)21-10-11-24-23(16-21)31(26(33)19-35-24)18-25(32)28-22-12-14-29(15-13-22)17-20-8-6-5-7-9-20/h5-11,16,22H,3-4,12-15,17-19H2,1-2H3,(H,28,32)
InChIKeyRPUBLVNEWFBISJ-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.39
Rot. Bonds8

About 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide

4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 50776866) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID50776866
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C(=O)CS2
InChIInChI=1S/C27H34N4O3S/c1-3-30(4-2)27(34)21-10-11-24-23(16-21)31(26(33)19-35-24)18-25(32)28-22-12-14-29(15-13-22)17-20-8-6-5-7-9-20/h5-11,16,22H,3-4,12-15,17-19H2,1-2H3,(H,28,32)
InChIKeyRPUBLVNEWFBISJ-UHFFFAOYSA-N
XLogP3.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777153
4-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777285
N,N-diethyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776845
N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974416
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776945
4-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777137
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 20932157
5-[2-(cyclopentylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029960
N-benzyl-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777140
(6aS)-5-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752128
4-benzyl-N-(3-ethoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095111

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide (CID 50776866) is 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C(=O)CS2.
What is the InChIKey of 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is RPUBLVNEWFBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-3-30(4-2)27(34)21-10-11-24-23(16-21)31(26(33)19-35-24)18-25(32)28-22-12-14-29(15-13-22)17-20-8-6-5-7-9-20/h5-11,16,22H,3-4,12-15,17-19H2,1-2H3,(H,28,32).
What are the key properties of 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 50776866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).