N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H27N3O3S — CID 9266297

IUPACN-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C22H27N3O3S/c1-3-24(4-2)21(27)17-7-5-8-18(15-17)23-20(26)16-10-12-25(13-11-16)22(28)19-9-6-14-29-19/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,23,26)
InChIKeyMRMKNABTVFEBMQ-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.72
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9266297) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9266297
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C22H27N3O3S/c1-3-24(4-2)21(27)17-7-5-8-18(15-17)23-20(26)16-10-12-25(13-11-16)22(28)19-9-6-14-29-19/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,23,26)
InChIKeyMRMKNABTVFEBMQ-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9266297) is N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is MRMKNABTVFEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-3-24(4-2)21(27)17-7-5-8-18(15-17)23-20(26)16-10-12-25(13-11-16)22(28)19-9-6-14-29-19/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9266297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).