N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide

C22H27N3O3S — CID 46464329

IUPACN-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C22H27N3O3S/c26-20(9-8-17-5-2-1-3-6-17)24-18-11-14-25(15-12-18)21(27)10-13-23-22(28)19-7-4-16-29-19/h1-7,16,18H,8-15H2,(H,23,28)(H,24,26)
InChIKeyDFMOBPFPQYYVRK-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.61
Rot. Bonds8

About N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide (PubChem CID 46464329) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide
PubChem CID46464329
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C22H27N3O3S/c26-20(9-8-17-5-2-1-3-6-17)24-18-11-14-25(15-12-18)21(27)10-13-23-22(28)19-7-4-16-29-19/h1-7,16,18H,8-15H2,(H,23,28)(H,24,26)
InChIKeyDFMOBPFPQYYVRK-UHFFFAOYSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide 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

N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide (CID 46464329) is N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide is O=C(CCc1ccccc1)NC1CCN(C(=O)CCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide?
The InChIKey is DFMOBPFPQYYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-20(9-8-17-5-2-1-3-6-17)24-18-11-14-25(15-12-18)21(27)10-13-23-22(28)19-7-4-16-29-19/h1-7,16,18H,8-15H2,(H,23,28)(H,24,26).
What are the key properties of N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 46464329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).