N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide

C21H21N3O2S — CID 108555927

IUPACN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccs1
InChIInChI=1S/C21H21N3O2S/c25-20(19-4-3-15-27-19)22-17-9-13-24(14-10-17)21(26)16-5-7-18(8-6-16)23-11-1-2-12-23/h1-8,11-12,15,17H,9-10,13-14H2,(H,22,25)
InChIKeyWVCVQBHLHBHKMF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 108555927) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID108555927
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccs1
InChIInChI=1S/C21H21N3O2S/c25-20(19-4-3-15-27-19)22-17-9-13-24(14-10-17)21(26)16-5-7-18(8-6-16)23-11-1-2-12-23/h1-8,11-12,15,17H,9-10,13-14H2,(H,22,25)
InChIKeyWVCVQBHLHBHKMF-UHFFFAOYSA-N
XLogP3.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110821257
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 108555927) is N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccs1.
What is the InChIKey of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is WVCVQBHLHBHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(19-4-3-15-27-19)22-17-9-13-24(14-10-17)21(26)16-5-7-18(8-6-16)23-11-1-2-12-23/h1-8,11-12,15,17H,9-10,13-14H2,(H,22,25).
What are the key properties of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 108555927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).