N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide

C18H28N4O4S — CID 25379649

IUPACN'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c1-4-21(5-2)16-8-6-14(7-9-16)17(23)19-20-18(24)15-10-12-22(13-11-15)27(3,25)26/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGNMWWSNSICJKMQ-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.97
Rot. Bonds6

About N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide

N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide (PubChem CID 25379649) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide
PubChem CID25379649
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c1-4-21(5-2)16-8-6-14(7-9-16)17(23)19-20-18(24)15-10-12-22(13-11-15)27(3,25)26/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGNMWWSNSICJKMQ-UHFFFAOYSA-N
XLogP0.97
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
N'-[4-(diethylamino)benzoyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbohydrazide
CID 41467756
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122296645
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
N'-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-4-(diethylamino)benzohydrazide
CID 7551735
N'-[4-(diethylamino)benzoyl]-6-methylpyridine-3-carbohydrazide
CID 30288485
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide (CID 25379649) is N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide?
The InChIKey is GNMWWSNSICJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-4-21(5-2)16-8-6-14(7-9-16)17(23)19-20-18(24)15-10-12-22(13-11-15)27(3,25)26/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide?
N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide has a molecular weight of 396.51 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 25379649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).