2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide

C18H27N3O4S — CID 52506806

IUPAC2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27N3O4S/c19-18(22)13-16-5-1-2-7-20(16)14-15-4-3-6-17(12-15)26(23,24)21-8-10-25-11-9-21/h3-4,6,12,16H,1-2,5,7-11,13-14H2,(H2,19,22)/t16-/m1/s1
InChIKeyUWZKUOUTHPJMSN-MRXNPFEDSA-N
MW381.50 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide

2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide (PubChem CID 52506806) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
PubChem CID52506806
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H27N3O4S/c19-18(22)13-16-5-1-2-7-20(16)14-15-4-3-6-17(12-15)26(23,24)21-8-10-25-11-9-21/h3-4,6,12,16H,1-2,5,7-11,13-14H2,(H2,19,22)/t16-/m1/s1
InChIKeyUWZKUOUTHPJMSN-MRXNPFEDSA-N
XLogP0.94
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]phenyl]sulfonylmorpholine
CID 25482649
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058
1-[[(2R)-1-benzylpiperidin-2-yl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 95248817
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932936
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide (CID 52506806) is 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide?
The InChIKey is UWZKUOUTHPJMSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O4S/c19-18(22)13-16-5-1-2-7-20(16)14-15-4-3-6-17(12-15)26(23,24)21-8-10-25-11-9-21/h3-4,6,12,16H,1-2,5,7-11,13-14H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 52506806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).