5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride

C20H25ClF2N2O2S — CID 119825454

IUPAC5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C20H24F2N2O2S.ClH/c1-2-13-24(15-9-11-23-12-10-15)19(25)18-8-7-17(27-18)14-3-5-16(6-4-14)26-20(21)22;/h3-8,15,20,23H,2,9-13H2,1H3;1H
InChIKeyNRAGULIEPOXQJS-UHFFFAOYSA-N
MW430.95 g/mol
LogP5.04
Rot. Bonds7

About 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride

5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride (PubChem CID 119825454) has the molecular formula C20H25ClF2N2O2S and a molecular weight of 430.95 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
PubChem CID119825454
Molecular FormulaC20H25ClF2N2O2S
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C20H24F2N2O2S.ClH/c1-2-13-24(15-9-11-23-12-10-15)19(25)18-8-7-17(27-18)14-3-5-16(6-4-14)26-20(21)22;/h3-8,15,20,23H,2,9-13H2,1H3;1H
InChIKeyNRAGULIEPOXQJS-UHFFFAOYSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.95
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119532288
4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
CID 119825913
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825125
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823220
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 119824471

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride (CID 119825454) is 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride is CCCN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C1CCNCC1.Cl.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
The InChIKey is NRAGULIEPOXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2S.ClH/c1-2-13-24(15-9-11-23-12-10-15)19(25)18-8-7-17(27-18)14-3-5-16(6-4-14)26-20(21)22;/h3-8,15,20,23H,2,9-13H2,1H3;1H.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride?
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride has a molecular weight of 430.95 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119825454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).