N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide

C22H29N3O3S — CID 55753038

IUPACN'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NN(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H29N3O3S/c1-2-16-29(27,28)24-15-9-12-20(18-24)22(26)23-25(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-8,10-11,13-14,20H,2,9,12,15-18H2,1H3,(H,23,26)
InChIKeyVBZOCCGITIJMNT-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.18
Rot. Bonds8

About N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide

N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide (PubChem CID 55753038) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
PubChem CID55753038
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NN(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H29N3O3S/c1-2-16-29(27,28)24-15-9-12-20(18-24)22(26)23-25(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-8,10-11,13-14,20H,2,9,12,15-18H2,1H3,(H,23,26)
InChIKeyVBZOCCGITIJMNT-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
CID 126797972
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide (CID 55753038) is N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide is CCCS(=O)(=O)N1CCCC(C(=O)NN(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is VBZOCCGITIJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-16-29(27,28)24-15-9-12-20(18-24)22(26)23-25(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-8,10-11,13-14,20H,2,9,12,15-18H2,1H3,(H,23,26).
What are the key properties of N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 415.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 55753038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).