1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide

C16H21N3O3S — CID 17436208

IUPAC1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O3S/c1-18(2)16(20)15-7-9-19(10-8-15)23(21,22)12-14-5-3-13(11-17)4-6-14/h3-6,15H,7-10,12H2,1-2H3
InChIKeyQXKIPUMROLQXOX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.19
Rot. Bonds4

About 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 17436208) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID17436208
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O3S/c1-18(2)16(20)15-7-9-19(10-8-15)23(21,22)12-14-5-3-13(11-17)4-6-14/h3-6,15H,7-10,12H2,1-2H3
InChIKeyQXKIPUMROLQXOX-UHFFFAOYSA-N
XLogP1.19
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 17436208) is 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QXKIPUMROLQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-18(2)16(20)15-7-9-19(10-8-15)23(21,22)12-14-5-3-13(11-17)4-6-14/h3-6,15H,7-10,12H2,1-2H3.
What are the key properties of 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methylsulfonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 17436208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).