N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C17H28ClN3O4S — CID 119404891

IUPACN-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-2-24-15-4-6-16(7-5-15)25(22,23)20-12-8-14(9-13-20)17(21)19-11-3-10-18;/h4-7,14H,2-3,8-13,18H2,1H3,(H,19,21);1H
InChIKeyURPAGXSSOBGFIX-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.37
Rot. Bonds8

About N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119404891) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119404891
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-2-24-15-4-6-16(7-5-15)25(22,23)20-12-8-14(9-13-20)17(21)19-11-3-10-18;/h4-7,14H,2-3,8-13,18H2,1H3,(H,19,21);1H
InChIKeyURPAGXSSOBGFIX-UHFFFAOYSA-N
XLogP1.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 7263242
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 54039969

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119404891) is N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is URPAGXSSOBGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-2-24-15-4-6-16(7-5-15)25(22,23)20-12-8-14(9-13-20)17(21)19-11-3-10-18;/h4-7,14H,2-3,8-13,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119404891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).