N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C22H27N5O2S — CID 53050024

IUPACN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCSc2ncccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O2S/c28-20(15-24-22(29)27-13-14-30-21-19(27)7-4-10-23-21)25-18-8-11-26(12-9-18)16-17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2,(H,24,29)(H,25,28)
InChIKeyDTBKVHJYVDGLHZ-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53050024) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53050024
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCSc2ncccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O2S/c28-20(15-24-22(29)27-13-14-30-21-19(27)7-4-10-23-21)25-18-8-11-26(12-9-18)16-17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2,(H,24,29)(H,25,28)
InChIKeyDTBKVHJYVDGLHZ-UHFFFAOYSA-N
XLogP2.48
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050025
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53050024) is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(CNC(=O)N1CCSc2ncccc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is DTBKVHJYVDGLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c28-20(15-24-22(29)27-13-14-30-21-19(27)7-4-10-23-21)25-18-8-11-26(12-9-18)16-17-5-2-1-3-6-17/h1-7,10,18H,8-9,11-16H2,(H,24,29)(H,25,28).
What are the key properties of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53050024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).