1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide

C18H27N3O5S — CID 71846024

IUPAC1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCOCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O5S/c1-26-12-5-13-27(24,25)19-14-17(22)21-10-8-15(9-11-21)18(23)20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3,(H,20,23)
InChIKeyJAQGCHBKEPKLEX-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.82
Rot. Bonds9

About 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 71846024) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID71846024
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCOCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O5S/c1-26-12-5-13-27(24,25)19-14-17(22)21-10-8-15(9-11-21)18(23)20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3,(H,20,23)
InChIKeyJAQGCHBKEPKLEX-UHFFFAOYSA-N
XLogP0.82
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.82
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-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide
CID 71913315
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223515
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide (CID 71846024) is 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide is COCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is JAQGCHBKEPKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-26-12-5-13-27(24,25)19-14-17(22)21-10-8-15(9-11-21)18(23)20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3,(H,20,23).
What are the key properties of 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 71846024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).