1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide

C14H20N4O3S — CID 68641506

IUPAC1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N=C(N)N1CCC(C(N)=O)(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)17-13(16)18-9-7-14(8-10-18,12(15)19)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyOLHYJCAKFXHOHD-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.22
Rot. Bonds3

About 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide

1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 68641506) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide
PubChem CID68641506
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N=C(N)N1CCC(C(N)=O)(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)17-13(16)18-9-7-14(8-10-18,12(15)19)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyOLHYJCAKFXHOHD-UHFFFAOYSA-N
XLogP-0.22
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide (CID 68641506) is 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide is CS(=O)(=O)N=C(N)N1CCC(C(N)=O)(c2ccccc2)CC1.
What is the InChIKey of 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is OLHYJCAKFXHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-22(20,21)17-13(16)18-9-7-14(8-10-18,12(15)19)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,19)(H2,16,17).
What are the key properties of 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide?
1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-methylsulfonylcarbamimidoyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 68641506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).