4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide

C19H30N4O3S — CID 119448829

IUPAC4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-16-5-6-17(19(24)21-9-14-22-12-7-20-8-13-22)15-18(16)27(25,26)23-10-3-2-4-11-23/h5-6,15,20H,2-4,7-14H2,1H3,(H,21,24)
InChIKeyXJZOBVZVESAJIX-UHFFFAOYSA-N
MW394.54 g/mol
LogP0.80
Rot. Bonds6

About 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 119448829) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID119448829
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-16-5-6-17(19(24)21-9-14-22-12-7-20-8-13-22)15-18(16)27(25,26)23-10-3-2-4-11-23/h5-6,15,20H,2-4,7-14H2,1H3,(H,21,24)
InChIKeyXJZOBVZVESAJIX-UHFFFAOYSA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
3-(1,4-diazepan-1-ylsulfonyl)-4-methylbenzoic acid
CID 61405052
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 119448829) is 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCCN2CCNCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XJZOBVZVESAJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-16-5-6-17(19(24)21-9-14-22-12-7-20-8-13-22)15-18(16)27(25,26)23-10-3-2-4-11-23/h5-6,15,20H,2-4,7-14H2,1H3,(H,21,24).
What are the key properties of 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 119448829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).