1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide

C20H30N4O3S — CID 86892187

IUPAC1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H30N4O3S/c1-4-11-23(15-14-22(2)3)20(25)18-9-12-24(13-10-18)28(26,27)19-7-5-17(16-21)6-8-19/h5-8,18H,4,9-15H2,1-3H3
InChIKeyMRKVQQUFEFPXGY-UHFFFAOYSA-N
MW406.55 g/mol
LogP1.76
Rot. Bonds8

About 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 86892187) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
PubChem CID86892187
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H30N4O3S/c1-4-11-23(15-14-22(2)3)20(25)18-9-12-24(13-10-18)28(26,27)19-7-5-17(16-21)6-8-19/h5-8,18H,4,9-15H2,1-3H3
InChIKeyMRKVQQUFEFPXGY-UHFFFAOYSA-N
XLogP1.76
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide (CID 86892187) is 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide is CCCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is MRKVQQUFEFPXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-4-11-23(15-14-22(2)3)20(25)18-9-12-24(13-10-18)28(26,27)19-7-5-17(16-21)6-8-19/h5-8,18H,4,9-15H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 86892187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).