N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide

C23H22N2O2S — CID 60578368

IUPACN-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccsc1
InChIInChI=1S/C23H22N2O2S/c26-22(20-12-15-28-16-20)24-21-10-13-25(14-11-21)23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26)
InChIKeyREGZTIIPTXIWMA-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.45
Rot. Bonds4

About N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 60578368) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID60578368
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccsc1
InChIInChI=1S/C23H22N2O2S/c26-22(20-12-15-28-16-20)24-21-10-13-25(14-11-21)23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26)
InChIKeyREGZTIIPTXIWMA-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide (CID 60578368) is N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccsc1.
What is the InChIKey of N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is REGZTIIPTXIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(20-12-15-28-16-20)24-21-10-13-25(14-11-21)23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26).
What are the key properties of N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 60578368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).