[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride

C15H30ClN5O3S — CID 119293377

IUPAC[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)C3CCCNC3)CC2)CC1.Cl
InChIInChI=1S/C15H29N5O3S.ClH/c1-17-5-9-19(10-6-17)24(22,23)20-11-7-18(8-12-20)15(21)14-3-2-4-16-13-14;/h14,16H,2-13H2,1H3;1H
InChIKeySZQRVIMNFJNZQQ-UHFFFAOYSA-N
MW395.96 g/mol
LogP-0.96
Rot. Bonds3

About [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride

[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119293377) has the molecular formula C15H30ClN5O3S and a molecular weight of 395.96 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
PubChem CID119293377
Molecular FormulaC15H30ClN5O3S
Molecular Weight395.96 g/mol
Exact Mass395.18
IUPAC Name[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCN1CCN(S(=O)(=O)N2CCN(C(=O)C3CCCNC3)CC2)CC1.Cl
InChIInChI=1S/C15H29N5O3S.ClH/c1-17-5-9-19(10-6-17)24(22,23)20-11-7-18(8-12-20)15(21)14-3-2-4-16-13-14;/h14,16H,2-13H2,1H3;1H
InChIKeySZQRVIMNFJNZQQ-UHFFFAOYSA-N
XLogP-0.96
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 60962768

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride (CID 119293377) is [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride is CN1CCN(S(=O)(=O)N2CCN(C(=O)C3CCCNC3)CC2)CC1.Cl.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is SZQRVIMNFJNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3S.ClH/c1-17-5-9-19(10-6-17)24(22,23)20-11-7-18(8-12-20)15(21)14-3-2-4-16-13-14;/h14,16H,2-13H2,1H3;1H.
What are the key properties of [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119293377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).