N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H27N3O2S — CID 9473547

IUPACN-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-6-2-3-13-24(16)14-5-12-22-20(25)17-8-10-18(11-9-17)23-21(26)19-7-4-15-27-19/h4,7-11,15-16H,2-3,5-6,12-14H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyXUOUTJXBSSFLGU-MRXNPFEDSA-N
MW385.53 g/mol
LogP3.99
Rot. Bonds7

About N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9473547) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9473547
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-6-2-3-13-24(16)14-5-12-22-20(25)17-8-10-18(11-9-17)23-21(26)19-7-4-15-27-19/h4,7-11,15-16H,2-3,5-6,12-14H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyXUOUTJXBSSFLGU-MRXNPFEDSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
5-ethyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870226
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842812

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 9473547) is N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide is C[C@@H]1CCCCN1CCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XUOUTJXBSSFLGU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-6-2-3-13-24(16)14-5-12-22-20(25)17-8-10-18(11-9-17)23-21(26)19-7-4-15-27-19/h4,7-11,15-16H,2-3,5-6,12-14H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9473547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).