N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride

C18H27ClN4O4S — CID 119481027

IUPACN-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C18H26N4O4S.ClH/c19-9-10-20-17(23)14-2-1-11-22(12-14)18(24)13-3-7-16(8-4-13)27(25,26)21-15-5-6-15;/h3-4,7-8,14-15,21H,1-2,5-6,9-12,19H2,(H,20,23);1H
InChIKeyBPAQHVCOYFJSKU-UHFFFAOYSA-N
MW430.96 g/mol
LogP0.48
Rot. Bonds7

About N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119481027) has the molecular formula C18H27ClN4O4S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119481027
Molecular FormulaC18H27ClN4O4S
Molecular Weight430.96 g/mol
Exact Mass430.14
IUPAC NameN-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C18H26N4O4S.ClH/c19-9-10-20-17(23)14-2-1-11-22(12-14)18(24)13-3-7-16(8-4-13)27(25,26)21-15-5-6-15;/h3-4,7-8,14-15,21H,1-2,5-6,9-12,19H2,(H,20,23);1H
InChIKeyBPAQHVCOYFJSKU-UHFFFAOYSA-N
XLogP0.48
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481003
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-(2-aminoethyl)-1-(4-amino-3-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482085

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride (CID 119481027) is N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BPAQHVCOYFJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S.ClH/c19-9-10-20-17(23)14-2-1-11-22(12-14)18(24)13-3-7-16(8-4-13)27(25,26)21-15-5-6-15;/h3-4,7-8,14-15,21H,1-2,5-6,9-12,19H2,(H,20,23);1H.
What are the key properties of N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 430.96 g/mol, XLogP of 0.48, 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-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).