N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide

C30H26N4O4 — CID 171683987

IUPACN-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H26N4O4/c35-29(22-8-10-27(11-9-22)38-26-4-2-1-3-5-26)32-24-19-31-34(20-24)25-12-15-33(16-13-25)30(36)23-7-6-21-14-17-37-28(21)18-23/h1-11,14,17-20,25H,12-13,15-16H2,(H,32,35)
InChIKeyYPHGJNZWNFVXLU-UHFFFAOYSA-N
MW506.56 g/mol
LogP6.15
Rot. Bonds6

About N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide

N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide (PubChem CID 171683987) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide
PubChem CID171683987
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC NameN-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H26N4O4/c35-29(22-8-10-27(11-9-22)38-26-4-2-1-3-5-26)32-24-19-31-34(20-24)25-12-15-33(16-13-25)30(36)23-7-6-21-14-17-37-28(21)18-23/h1-11,14,17-20,25H,12-13,15-16H2,(H,32,35)
InChIKeyYPHGJNZWNFVXLU-UHFFFAOYSA-N
XLogP6.15
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171684901
6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide
CID 171681122
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 171682537
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
2-(4-fluoro-2-methoxyphenyl)-N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171683606
(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
CID 109166454
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
2-(2,6-dimethylphenyl)sulfanyl-N-[1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171685806

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide?
The IUPAC name of N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide (CID 171683987) is N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide is O=C(Nc1cnn(C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide?
The InChIKey is YPHGJNZWNFVXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c35-29(22-8-10-27(11-9-22)38-26-4-2-1-3-5-26)32-24-19-31-34(20-24)25-12-15-33(16-13-25)30(36)23-7-6-21-14-17-37-28(21)18-23/h1-11,14,17-20,25H,12-13,15-16H2,(H,32,35).
What are the key properties of N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide?
N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide has a molecular weight of 506.56 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-benzofuran-6-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-phenoxybenzamide is sourced from PubChem (CID 171683987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).