N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide

C21H34N4O3S — CID 55656722

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C21H34N4O3S/c1-23-14-16-24(17-15-23)11-6-3-10-22-21(26)19-8-7-9-20(18-19)29(27,28)25-12-4-2-5-13-25/h7-9,18H,2-6,10-17H2,1H3,(H,22,26)
InChIKeyOIONVXWNPKDEDX-UHFFFAOYSA-N
MW422.60 g/mol
LogP1.62
Rot. Bonds8

About N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide

N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55656722) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55656722
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C21H34N4O3S/c1-23-14-16-24(17-15-23)11-6-3-10-22-21(26)19-8-7-9-20(18-19)29(27,28)25-12-4-2-5-13-25/h7-9,18H,2-6,10-17H2,1H3,(H,22,26)
InChIKeyOIONVXWNPKDEDX-UHFFFAOYSA-N
XLogP1.62
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 51.62
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

N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
3-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide chloride
CID 53351285
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55656722) is N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide is CN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OIONVXWNPKDEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-23-14-16-24(17-15-23)11-6-3-10-22-21(26)19-8-7-9-20(18-19)29(27,28)25-12-4-2-5-13-25/h7-9,18H,2-6,10-17H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.60 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55656722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).