N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C25H25N3O3S — CID 42931013

IUPACN-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C(NC(=O)c2cccs2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H25N3O3S/c29-23(19-10-5-2-6-11-19)26-20-13-15-28(16-14-20)25(31)22(18-8-3-1-4-9-18)27-24(30)21-12-7-17-32-21/h1-12,17,20,22H,13-16H2,(H,26,29)(H,27,30)
InChIKeyGUNLUMPQBDJJAC-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 42931013) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID42931013
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C(NC(=O)c2cccs2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H25N3O3S/c29-23(19-10-5-2-6-11-19)26-20-13-15-28(16-14-20)25(31)22(18-8-3-1-4-9-18)27-24(30)21-12-7-17-32-21/h1-12,17,20,22H,13-16H2,(H,26,29)(H,27,30)
InChIKeyGUNLUMPQBDJJAC-UHFFFAOYSA-N
XLogP3.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39966093
N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 51929199
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
N-[2-oxo-1-phenyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 51113226

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 42931013) is N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)C(NC(=O)c2cccs2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is GUNLUMPQBDJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c29-23(19-10-5-2-6-11-19)26-20-13-15-28(16-14-20)25(31)22(18-8-3-1-4-9-18)27-24(30)21-12-7-17-32-21/h1-12,17,20,22H,13-16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42931013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).