3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride

C16H26ClN3O3S — CID 119731383

IUPAC3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1cccc(S(N)(=O)=O)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-12(14-5-3-7-18-11-14)8-16(20)19-10-13-4-2-6-15(9-13)23(17,21)22;/h2,4,6,9,12,14,18H,3,5,7-8,10-11H2,1H3,(H,19,20)(H2,17,21,22);1H
InChIKeySNLGPPAIEOEBDJ-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.40
Rot. Bonds6

About 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride

3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride (PubChem CID 119731383) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
PubChem CID119731383
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1cccc(S(N)(=O)=O)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-12(14-5-3-7-18-11-14)8-16(20)19-10-13-4-2-6-15(9-13)23(17,21)22;/h2,4,6,9,12,14,18H,3,5,7-8,10-11H2,1H3,(H,19,20)(H2,17,21,22);1H
InChIKeySNLGPPAIEOEBDJ-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride (CID 119731383) is 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride is CC(CC(=O)NCc1cccc(S(N)(=O)=O)c1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is SNLGPPAIEOEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-12(14-5-3-7-18-11-14)8-16(20)19-10-13-4-2-6-15(9-13)23(17,21)22;/h2,4,6,9,12,14,18H,3,5,7-8,10-11H2,1H3,(H,19,20)(H2,17,21,22);1H.
What are the key properties of 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119731383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).