N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide

C22H29N7O4S — CID 43062207

IUPACN'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCCN(c4cnccn4)C3)cc2)CC1
InChIInChI=1S/C22H29N7O4S/c1-27-11-13-29(14-12-27)34(32,33)19-6-4-17(5-7-19)21(30)25-26-22(31)18-3-2-10-28(16-18)20-15-23-8-9-24-20/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,25,30)(H,26,31)
InChIKeyGCNSDHMCRBPNTD-UHFFFAOYSA-N
MW487.59 g/mol
LogP0.09
Rot. Bonds5

About N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide

N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide (PubChem CID 43062207) has the molecular formula C22H29N7O4S and a molecular weight of 487.59 g/mol. Its IUPAC name is N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
PubChem CID43062207
Molecular FormulaC22H29N7O4S
Molecular Weight487.59 g/mol
Exact Mass487.20
IUPAC NameN'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCCN(c4cnccn4)C3)cc2)CC1
InChIInChI=1S/C22H29N7O4S/c1-27-11-13-29(14-12-27)34(32,33)19-6-4-17(5-7-19)21(30)25-26-22(31)18-3-2-10-28(16-18)20-15-23-8-9-24-20/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,25,30)(H,26,31)
InChIKeyGCNSDHMCRBPNTD-UHFFFAOYSA-N
XLogP0.09
TPSA127.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 46573281
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 43062320
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453
[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 43062166
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 124960766
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The IUPAC name of N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide (CID 43062207) is N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide is CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCCN(c4cnccn4)C3)cc2)CC1.
What is the InChIKey of N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The InChIKey is GCNSDHMCRBPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4S/c1-27-11-13-29(14-12-27)34(32,33)19-6-4-17(5-7-19)21(30)25-26-22(31)18-3-2-10-28(16-18)20-15-23-8-9-24-20/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide has a molecular weight of 487.59 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide is sourced from PubChem (CID 43062207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).