2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C19H26N2O3S — CID 55806549

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCOC3CCCCC32)CC1
InChIInChI=1S/C19H26N2O3S/c22-18(21-11-12-24-16-5-2-1-4-15(16)21)14-7-9-20(10-8-14)19(23)17-6-3-13-25-17/h3,6,13-16H,1-2,4-5,7-12H2
InChIKeyLFSOZVJCKUELPZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.77
Rot. Bonds2

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 55806549) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID55806549
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCOC3CCCCC32)CC1
InChIInChI=1S/C19H26N2O3S/c22-18(21-11-12-24-16-5-2-1-4-15(16)21)14-7-9-20(10-8-14)19(23)17-6-3-13-25-17/h3,6,13-16H,1-2,4-5,7-12H2
InChIKeyLFSOZVJCKUELPZ-UHFFFAOYSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
[(2R)-2-ethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27244606
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(cyclopropyl)methanone
CID 52985742
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 8732831
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 41041616
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
[(3aR,6S,7aR)-4-(thiophene-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380385
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 55806549) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1cccs1)N1CCC(C(=O)N2CCOC3CCCCC32)CC1.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is LFSOZVJCKUELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-18(21-11-12-24-16-5-2-1-4-15(16)21)14-7-9-20(10-8-14)19(23)17-6-3-13-25-17/h3,6,13-16H,1-2,4-5,7-12H2.
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 362.50 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55806549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).