2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C22H35N3O3S — CID 50767993

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H35N3O3S/c1-19-8-5-6-14-24(19)15-7-13-23-22(26)18-20-11-16-25(17-12-20)29(27,28)21-9-3-2-4-10-21/h2-4,9-10,19-20H,5-8,11-18H2,1H3,(H,23,26)
InChIKeyXTPKDFPJHSZOLB-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.86
Rot. Bonds8

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 50767993) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID50767993
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H35N3O3S/c1-19-8-5-6-14-24(19)15-7-13-23-22(26)18-20-11-16-25(17-12-20)29(27,28)21-9-3-2-4-10-21/h2-4,9-10,19-20H,5-8,11-18H2,1H3,(H,23,26)
InChIKeyXTPKDFPJHSZOLB-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92888154
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768020
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866855
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 50767993) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CC1CCCCN1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is XTPKDFPJHSZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-19-8-5-6-14-24(19)15-7-13-23-22(26)18-20-11-16-25(17-12-20)29(27,28)21-9-3-2-4-10-21/h2-4,9-10,19-20H,5-8,11-18H2,1H3,(H,23,26).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 421.61 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 50767993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).