N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H28N4O2S — CID 46820339

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C22H28N4O2S/c1-24-12-14-25(15-13-24)19-6-3-2-5-18(19)23-21(27)17-8-10-26(11-9-17)22(28)20-7-4-16-29-20/h2-7,16-17H,8-15H2,1H3,(H,23,27)
InChIKeyGQNXZZVOJZVGJV-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.99
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46820339) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46820339
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C22H28N4O2S/c1-24-12-14-25(15-13-24)19-6-3-2-5-18(19)23-21(27)17-8-10-26(11-9-17)22(28)20-7-4-16-29-20/h2-7,16-17H,8-15H2,1H3,(H,23,27)
InChIKeyGQNXZZVOJZVGJV-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
N-[2-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55985354
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511075
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46820339) is N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GQNXZZVOJZVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-24-12-14-25(15-13-24)19-6-3-2-5-18(19)23-21(27)17-8-10-26(11-9-17)22(28)20-7-4-16-29-20/h2-7,16-17H,8-15H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46820339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).