1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide

C17H25N3O4S — CID 119405399

IUPAC1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)14-3-5-16(6-4-14)25(23,24)20-11-7-15(8-12-20)17(22)19-10-2-9-18/h3-6,15H,2,7-12,18H2,1H3,(H,19,22)
InChIKeyRNBFBPLRCWZJOR-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.75
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide (PubChem CID 119405399) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
PubChem CID119405399
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)14-3-5-16(6-4-14)25(23,24)20-11-7-15(8-12-20)17(22)19-10-2-9-18/h3-6,15H,2,7-12,18H2,1H3,(H,19,22)
InChIKeyRNBFBPLRCWZJOR-UHFFFAOYSA-N
XLogP0.75
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.75
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-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594195
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
ethyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55660394

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide (CID 119405399) is 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide?
The InChIKey is RNBFBPLRCWZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13(21)14-3-5-16(6-4-14)25(23,24)20-11-7-15(8-12-20)17(22)19-10-2-9-18/h3-6,15H,2,7-12,18H2,1H3,(H,19,22).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119405399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).