N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

C23H32N4O5S — CID 55527198

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C1
InChIInChI=1S/C23H32N4O5S/c1-17-22(18(2)32-25-17)33(29,30)27-10-6-9-20(15-27)23(28)24-13-21-16-26(11-12-31-21)14-19-7-4-3-5-8-19/h3-5,7-8,20-21H,6,9-16H2,1-2H3,(H,24,28)
InChIKeyIZCBVFICTYFNTM-UHFFFAOYSA-N
MW476.60 g/mol
LogP1.71
Rot. Bonds7

About N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 55527198) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID55527198
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C1
InChIInChI=1S/C23H32N4O5S/c1-17-22(18(2)32-25-17)33(29,30)27-10-6-9-20(15-27)23(28)24-13-21-16-26(11-12-31-21)14-19-7-4-3-5-8-19/h3-5,7-8,20-21H,6,9-16H2,1-2H3,(H,24,28)
InChIKeyIZCBVFICTYFNTM-UHFFFAOYSA-N
XLogP1.71
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55452204
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
(3R)-N-benzyl-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887391
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
(3S)-N-benzyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92725019
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965874

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 55527198) is N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is IZCBVFICTYFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-17-22(18(2)32-25-17)33(29,30)27-10-6-9-20(15-27)23(28)24-13-21-16-26(11-12-31-21)14-19-7-4-3-5-8-19/h3-5,7-8,20-21H,6,9-16H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55527198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).