N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide

C30H29N3O2S — CID 46037924

IUPACN-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2ccc(-c3ccccc3)cc2)CC1)c1cccs1
InChIInChI=1S/C30H29N3O2S/c34-29(31-21-22-12-14-24(15-13-22)23-7-2-1-3-8-23)26-9-4-5-10-27(26)33-18-16-25(17-19-33)32-30(35)28-11-6-20-36-28/h1-15,20,25H,16-19,21H2,(H,31,34)(H,32,35)
InChIKeyXVXARFUJBKQBEJ-UHFFFAOYSA-N
MW495.65 g/mol
LogP5.74
Rot. Bonds7

About N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 46037924) has the molecular formula C30H29N3O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID46037924
Molecular FormulaC30H29N3O2S
Molecular Weight495.65 g/mol
Exact Mass495.20
IUPAC NameN-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2ccc(-c3ccccc3)cc2)CC1)c1cccs1
InChIInChI=1S/C30H29N3O2S/c34-29(31-21-22-12-14-24(15-13-22)23-7-2-1-3-8-23)26-9-4-5-10-27(26)33-18-16-25(17-19-33)32-30(35)28-11-6-20-36-28/h1-15,20,25H,16-19,21H2,(H,31,34)(H,32,35)
InChIKeyXVXARFUJBKQBEJ-UHFFFAOYSA-N
XLogP5.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide (CID 46037924) is N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccccc2C(=O)NCc2ccc(-c3ccccc3)cc2)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is XVXARFUJBKQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2S/c34-29(31-21-22-12-14-24(15-13-22)23-7-2-1-3-8-23)26-9-4-5-10-27(26)33-18-16-25(17-19-33)32-30(35)28-11-6-20-36-28/h1-15,20,25H,16-19,21H2,(H,31,34)(H,32,35).
What are the key properties of N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46037924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).