4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride

C17H26ClN3O5S — CID 119671829

IUPAC4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-17(5-7-18-8-6-17)16(21)19-14-3-2-4-15(13-14)26(22,23)20-9-11-25-12-10-20;/h2-4,13,18H,5-12H2,1H3,(H,19,21);1H
InChIKeySXRRXAHZYFFUNZ-UHFFFAOYSA-N
MW419.93 g/mol
LogP0.84
Rot. Bonds5

About 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119671829) has the molecular formula C17H26ClN3O5S and a molecular weight of 419.93 g/mol. Its IUPAC name is 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119671829
Molecular FormulaC17H26ClN3O5S
Molecular Weight419.93 g/mol
Exact Mass419.13
IUPAC Name4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCNCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-17(5-7-18-8-6-17)16(21)19-14-3-2-4-15(13-14)26(22,23)20-9-11-25-12-10-20;/h2-4,13,18H,5-12H2,1H3,(H,19,21);1H
InChIKeySXRRXAHZYFFUNZ-UHFFFAOYSA-N
XLogP0.84
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
1-(4-chlorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 17477829
1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 7925606
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119671829) is 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SXRRXAHZYFFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S.ClH/c1-24-17(5-7-18-8-6-17)16(21)19-14-3-2-4-15(13-14)26(22,23)20-9-11-25-12-10-20;/h2-4,13,18H,5-12H2,1H3,(H,19,21);1H.
What are the key properties of 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).