1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide

C20H28N4O3S — CID 53085654

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)c1
InChIInChI=1S/C20H28N4O3S/c1-2-23-15-19(22-16-23)28(26,27)24-13-7-11-18(14-24)20(25)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3,(H,21,25)
InChIKeyQHWOHZWILCAINU-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.05
Rot. Bonds8

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 53085654) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID53085654
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)c1
InChIInChI=1S/C20H28N4O3S/c1-2-23-15-19(22-16-23)28(26,27)24-13-7-11-18(14-24)20(25)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3,(H,21,25)
InChIKeyQHWOHZWILCAINU-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.05
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

(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42653754

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 53085654) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is QHWOHZWILCAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-2-23-15-19(22-16-23)28(26,27)24-13-7-11-18(14-24)20(25)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3,(H,21,25).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53085654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).