1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide

C38H38N4O4 — CID 86766299

IUPAC1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C38H38N4O4/c43-35(29-19-23-41(24-20-29)37(45)31-7-3-1-4-8-31)39-33-15-11-27(12-16-33)28-13-17-34(18-14-28)40-36(44)30-21-25-42(26-22-30)38(46)32-9-5-2-6-10-32/h1-18,29-30H,19-26H2,(H,39,43)(H,40,44)
InChIKeyQRBHPRNSIBXUOF-UHFFFAOYSA-N
MW614.75 g/mol
LogP6.34
Rot. Bonds7

About 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide

1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide (PubChem CID 86766299) has the molecular formula C38H38N4O4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide
PubChem CID86766299
Molecular FormulaC38H38N4O4
Molecular Weight614.75 g/mol
Exact Mass614.29
IUPAC Name1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C38H38N4O4/c43-35(29-19-23-41(24-20-29)37(45)31-7-3-1-4-8-31)39-33-15-11-27(12-16-33)28-13-17-34(18-14-28)40-36(44)30-21-25-42(26-22-30)38(46)32-9-5-2-6-10-32/h1-18,29-30H,19-26H2,(H,39,43)(H,40,44)
InChIKeyQRBHPRNSIBXUOF-UHFFFAOYSA-N
XLogP6.34
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide (CID 86766299) is 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide?
The InChIKey is QRBHPRNSIBXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O4/c43-35(29-19-23-41(24-20-29)37(45)31-7-3-1-4-8-31)39-33-15-11-27(12-16-33)28-13-17-34(18-14-28)40-36(44)30-21-25-42(26-22-30)38(46)32-9-5-2-6-10-32/h1-18,29-30H,19-26H2,(H,39,43)(H,40,44).
What are the key properties of 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide?
1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide has a molecular weight of 614.75 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-[4-[(1-benzoylpiperidine-4-carbonyl)amino]phenyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 86766299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).