N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C18H30ClN3O3S — CID 119750157

IUPACN-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(15-8-10-20-11-9-15)12-18(22)21-14(2)16-4-6-17(7-5-16)25(23,24)19-3;/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,21,22);1H
InChIKeyOQHROCFENNKJMA-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.22
Rot. Bonds7

About N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119750157) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119750157
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(15-8-10-20-11-9-15)12-18(22)21-14(2)16-4-6-17(7-5-16)25(23,24)19-3;/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,21,22);1H
InChIKeyOQHROCFENNKJMA-UHFFFAOYSA-N
XLogP2.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
2-(cyclopropylmethylamino)-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]acetamide
CID 119750150
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119720516
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
CID 119900427
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119736423

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119750157) is N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CNS(=O)(=O)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is OQHROCFENNKJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-13(15-8-10-20-11-9-15)12-18(22)21-14(2)16-4-6-17(7-5-16)25(23,24)19-3;/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).