N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride

C18H29ClN4O4S — CID 119479664

IUPACN-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl
InChIInChI=1S/C18H28N4O4S.ClH/c1-3-21-27(25,26)15-7-6-13(2)16(11-15)18(24)22-10-4-5-14(12-22)17(23)20-9-8-19;/h6-7,11,14,21H,3-5,8-10,12,19H2,1-2H3,(H,20,23);1H
InChIKeyLOBXNDPMRDIXBY-UHFFFAOYSA-N
MW432.97 g/mol
LogP0.64
Rot. Bonds7

About N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119479664) has the molecular formula C18H29ClN4O4S and a molecular weight of 432.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119479664
Molecular FormulaC18H29ClN4O4S
Molecular Weight432.97 g/mol
Exact Mass432.16
IUPAC NameN-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl
InChIInChI=1S/C18H28N4O4S.ClH/c1-3-21-27(25,26)15-7-6-13(2)16(11-15)18(24)22-10-4-5-14(12-22)17(23)20-9-8-19;/h6-7,11,14,21H,3-5,8-10,12,19H2,1-2H3,(H,20,23);1H
InChIKeyLOBXNDPMRDIXBY-UHFFFAOYSA-N
XLogP0.64
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 27658634
N-(2-aminoethyl)-1-(2-methyl-5-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119479704
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481442
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119466557
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481027
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride (CID 119479664) is N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is LOBXNDPMRDIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S.ClH/c1-3-21-27(25,26)15-7-6-13(2)16(11-15)18(24)22-10-4-5-14(12-22)17(23)20-9-8-19;/h6-7,11,14,21H,3-5,8-10,12,19H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 432.97 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).