N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C14H19N3O4S — CID 1081285

IUPACN-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)17-8-6-11(7-9-17)14(19)16-12-4-2-10(3-5-12)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyAHACIFRSOWZBTH-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.40
Rot. Bonds4

About N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081285) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081285
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)17-8-6-11(7-9-17)14(19)16-12-4-2-10(3-5-12)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyAHACIFRSOWZBTH-UHFFFAOYSA-N
XLogP0.40
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate
CID 55506118
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259
N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 71792214
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081249
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110726535

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 1081285) is N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is AHACIFRSOWZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-22(20,21)17-8-6-11(7-9-17)14(19)16-12-4-2-10(3-5-12)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).