N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide

C20H21Cl2N3O3S — CID 55669946

IUPACN-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C20H21Cl2N3O3S/c21-14-7-6-13(12-15(14)22)24-19(27)16-4-1-2-10-25(16)18(26)8-9-23-20(28)17-5-3-11-29-17/h3,5-7,11-12,16H,1-2,4,8-10H2,(H,23,28)(H,24,27)
InChIKeyLBVYLZXKEVJBRD-UHFFFAOYSA-N
MW454.38 g/mol
LogP4.19
Rot. Bonds6

About N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide (PubChem CID 55669946) has the molecular formula C20H21Cl2N3O3S and a molecular weight of 454.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide
PubChem CID55669946
Molecular FormulaC20H21Cl2N3O3S
Molecular Weight454.38 g/mol
Exact Mass453.07
IUPAC NameN-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C20H21Cl2N3O3S/c21-14-7-6-13(12-15(14)22)24-19(27)16-4-1-2-10-25(16)18(26)8-9-23-20(28)17-5-3-11-29-17/h3,5-7,11-12,16H,1-2,4,8-10H2,(H,23,28)(H,24,27)
InChIKeyLBVYLZXKEVJBRD-UHFFFAOYSA-N
XLogP4.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55363367
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
CID 55603823
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692
N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31797256

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide (CID 55669946) is N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide is O=C(NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide?
The InChIKey is LBVYLZXKEVJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3S/c21-14-7-6-13(12-15(14)22)24-19(27)16-4-1-2-10-25(16)18(26)8-9-23-20(28)17-5-3-11-29-17/h3,5-7,11-12,16H,1-2,4,8-10H2,(H,23,28)(H,24,27).
What are the key properties of N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 55669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).