N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide

C18H29N3O3S — CID 113135910

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCN(c2cccc(C)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-9-21(25(3,23)24)10-8-18(22)20-13-11-19(12-14-20)17-7-5-6-16(2)15-17/h5-7,15H,4,8-14H2,1-3H3
InChIKeyCYAJTCAIAGEQJF-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.71
Rot. Bonds7

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide (PubChem CID 113135910) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
PubChem CID113135910
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCN(c2cccc(C)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-4-9-21(25(3,23)24)10-8-18(22)20-13-11-19(12-14-20)17-7-5-6-16(2)15-17/h5-7,15H,4,8-14H2,1-3H3
InChIKeyCYAJTCAIAGEQJF-UHFFFAOYSA-N
XLogP1.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 113141146
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
N-tert-butyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113152890
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113128930
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
CID 82846569

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide (CID 113135910) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide is CCCN(CCC(=O)N1CCN(c2cccc(C)c2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide?
The InChIKey is CYAJTCAIAGEQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-9-21(25(3,23)24)10-8-18(22)20-13-11-19(12-14-20)17-7-5-6-16(2)15-17/h5-7,15H,4,8-14H2,1-3H3.
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 113135910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).