3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline

C24H34N4O2S — CID 58765512

IUPAC3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H34N4O2S/c1-25(2)22-7-6-8-23(19-22)27-17-15-26(16-18-27)20-21-11-13-28(14-12-21)31(29,30)24-9-4-3-5-10-24/h3-10,19,21H,11-18,20H2,1-2H3
InChIKeyAAMJDEPSYUKRCM-UHFFFAOYSA-N
MW442.63 g/mol
LogP2.98
Rot. Bonds6

About 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline

3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline (PubChem CID 58765512) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline
PubChem CID58765512
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H34N4O2S/c1-25(2)22-7-6-8-23(19-22)27-17-15-26(16-18-27)20-21-11-13-28(14-12-21)31(29,30)24-9-4-3-5-10-24/h3-10,19,21H,11-18,20H2,1-2H3
InChIKeyAAMJDEPSYUKRCM-UHFFFAOYSA-N
XLogP2.98
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

4-[[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-9-(cyclohexylmethyl)-3-methylidene-1,5,9-triazacyclododec-1-yl]sulfonyl]-N,N-dimethylaniline
CID 139492966
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 149281042
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline (CID 58765512) is 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline is CN(C)c1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1.
What is the InChIKey of 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline?
The InChIKey is AAMJDEPSYUKRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-25(2)22-7-6-8-23(19-22)27-17-15-26(16-18-27)20-21-11-13-28(14-12-21)31(29,30)24-9-4-3-5-10-24/h3-10,19,21H,11-18,20H2,1-2H3.
What are the key properties of 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline?
3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline has a molecular weight of 442.63 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 58765512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).