N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide

C19H31N3O3S — CID 2329054

IUPACN-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H31N3O3S/c1-3-21(4-2)13-9-12-20-19(23)17-10-8-11-18(16-17)26(24,25)22-14-6-5-7-15-22/h8,10-11,16H,3-7,9,12-15H2,1-2H3,(H,20,23)
InChIKeyZWIPJQWAGBMCNL-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.32
Rot. Bonds9

About N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide

N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2329054) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2329054
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H31N3O3S/c1-3-21(4-2)13-9-12-20-19(23)17-10-8-11-18(16-17)26(24,25)22-14-6-5-7-15-22/h8,10-11,16H,3-7,9,12-15H2,1-2H3,(H,20,23)
InChIKeyZWIPJQWAGBMCNL-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.32
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

3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(diethylamino)ethyl]benzamide
CID 19257232
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
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9472505
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide (CID 2329054) is N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide is CCN(CC)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZWIPJQWAGBMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-21(4-2)13-9-12-20-19(23)17-10-8-11-18(16-17)26(24,25)22-14-6-5-7-15-22/h8,10-11,16H,3-7,9,12-15H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2329054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).