N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide

C19H31N3O3S — CID 55965939

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-16(2)26(24,25)17(3)19(23)20-10-7-11-21-12-14-22(15-13-21)18-8-5-4-6-9-18/h4-6,8-9,16-17H,7,10-15H2,1-3H3,(H,20,23)
InChIKeyQQOZHSFMTBRYPJ-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.53
Rot. Bonds8

About N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide

N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 55965939) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID55965939
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-16(2)26(24,25)17(3)19(23)20-10-7-11-21-12-14-22(15-13-21)18-8-5-4-6-9-18/h4-6,8-9,16-17H,7,10-15H2,1-3H3,(H,20,23)
InChIKeyQQOZHSFMTBRYPJ-UHFFFAOYSA-N
XLogP1.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.53
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

3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 111454454
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 71910704
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724
2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 46431848
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide (CID 55965939) is N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is QQOZHSFMTBRYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-16(2)26(24,25)17(3)19(23)20-10-7-11-21-12-14-22(15-13-21)18-8-5-4-6-9-18/h4-6,8-9,16-17H,7,10-15H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide?
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 381.54 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55965939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).