3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide

C18H27N3O4S — CID 119390011

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCNCC1
InChIInChI=1S/C18H27N3O4S/c22-18(20-16-7-9-19-10-8-16)6-3-15-1-4-17(5-2-15)26(23,24)21-11-13-25-14-12-21/h1-2,4-5,16,19H,3,6-14H2,(H,20,22)
InChIKeyYFNDYDFUDWAAJJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.51
Rot. Bonds6

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide (PubChem CID 119390011) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
PubChem CID119390011
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCNCC1
InChIInChI=1S/C18H27N3O4S/c22-18(20-16-7-9-19-10-8-16)6-3-15-1-4-17(5-2-15)26(23,24)21-11-13-25-14-12-21/h1-2,4-5,16,19H,3,6-14H2,(H,20,22)
InChIKeyYFNDYDFUDWAAJJ-UHFFFAOYSA-N
XLogP0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55961209
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119537712
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide (CID 119390011) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCNCC1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide?
The InChIKey is YFNDYDFUDWAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(20-16-7-9-19-10-8-16)6-3-15-1-4-17(5-2-15)26(23,24)21-11-13-25-14-12-21/h1-2,4-5,16,19H,3,6-14H2,(H,20,22).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119390011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).