1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide

C19H28N4O3S — CID 8865714

IUPAC1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H28N4O3S/c1-3-22(4-2)14-11-21-19(24)17-9-12-23(13-10-17)27(25,26)18-7-5-16(15-20)6-8-18/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyYGHJQDOKHJSITR-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.42
Rot. Bonds8

About 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 8865714) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
PubChem CID8865714
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H28N4O3S/c1-3-22(4-2)14-11-21-19(24)17-9-12-23(13-10-17)27(25,26)18-7-5-16(15-20)6-8-18/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyYGHJQDOKHJSITR-UHFFFAOYSA-N
XLogP1.42
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-cyanophenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide
CID 8531436
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
1-(4-cyanophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 17488678
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
CID 86950358
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
1-(4-chlorophenyl)sulfonyl-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 8919099

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (CID 8865714) is 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is YGHJQDOKHJSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-22(4-2)14-11-21-19(24)17-9-12-23(13-10-17)27(25,26)18-7-5-16(15-20)6-8-18/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8865714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).