N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide

C21H27N3O3S — CID 55752735

IUPACN',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NN(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-15-9-10-18(17-23)21(25)22-24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,2,9-10,15-17H2,1H3,(H,22,25)
InChIKeyGDDUCGYJCMFCOR-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.31
Rot. Bonds7

About N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide

N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide (PubChem CID 55752735) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
PubChem CID55752735
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NN(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-15-9-10-18(17-23)21(25)22-24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,2,9-10,15-17H2,1H3,(H,22,25)
InChIKeyGDDUCGYJCMFCOR-UHFFFAOYSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.31
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'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55753038
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
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082

Frequently Asked Questions

What is the IUPAC name of N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide (CID 55752735) is N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide is CCCS(=O)(=O)N1CCCC(C(=O)NN(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is GDDUCGYJCMFCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-16-28(26,27)23-15-9-10-18(17-23)21(25)22-24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,2,9-10,15-17H2,1H3,(H,22,25).
What are the key properties of N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide?
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 401.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 55752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).