4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride

C19H32ClN3O4S — CID 119992821

IUPAC4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-3-21(4-2)19(23)16-6-8-18(9-7-16)27(24,25)22-13-10-17(11-14-22)26-15-5-12-20;/h6-9,17H,3-5,10-15,20H2,1-2H3;1H
InChIKeyUNHXNTYOSCEFHQ-UHFFFAOYSA-N
MW434.00 g/mol
LogP2.11
Rot. Bonds9

About 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride

4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride (PubChem CID 119992821) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
PubChem CID119992821
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC Name4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-3-21(4-2)19(23)16-6-8-18(9-7-16)27(24,25)22-13-10-17(11-14-22)26-15-5-12-20;/h6-9,17H,3-5,10-15,20H2,1-2H3;1H
InChIKeyUNHXNTYOSCEFHQ-UHFFFAOYSA-N
XLogP2.11
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789
1-[3-[4-(3-aminopropoxy)piperidin-1-yl]sulfonylphenyl]propan-1-one
CID 119992916
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide
CID 119987844
3-[1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992881
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
3-[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992838
3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992847
methyl 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-3-chlorobenzoate;hydrochloride
CID 119992696
3-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992578
1-[5-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119992799
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride (CID 119992821) is 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1.Cl.
What is the InChIKey of 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride?
The InChIKey is UNHXNTYOSCEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-3-21(4-2)19(23)16-6-8-18(9-7-16)27(24,25)22-13-10-17(11-14-22)26-15-5-12-20;/h6-9,17H,3-5,10-15,20H2,1-2H3;1H.
What are the key properties of 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride?
4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119992821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).