N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide

C34H33N3O2 — CID 44533179

IUPACN-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide
SMILESCOc1ccc2[nH]cc(C3CCN(Cc4ccc(NC(=O)c5ccc(-c6ccccc6)cc5)cc4)CC3)c2c1
InChIInChI=1S/C34H33N3O2/c1-39-30-15-16-33-31(21-30)32(22-35-33)27-17-19-37(20-18-27)23-24-7-13-29(14-8-24)36-34(38)28-11-9-26(10-12-28)25-5-3-2-4-6-25/h2-16,21-22,27,35H,17-20,23H2,1H3,(H,36,38)
InChIKeyYDSFQZNKXWKNDN-UHFFFAOYSA-N
MW515.66 g/mol
LogP7.48
Rot. Bonds7

About N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide

N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide (PubChem CID 44533179) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide
PubChem CID44533179
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC NameN-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide
SMILESCOc1ccc2[nH]cc(C3CCN(Cc4ccc(NC(=O)c5ccc(-c6ccccc6)cc5)cc4)CC3)c2c1
InChIInChI=1S/C34H33N3O2/c1-39-30-15-16-33-31(21-30)32(22-35-33)27-17-19-37(20-18-27)23-24-7-13-29(14-8-24)36-34(38)28-11-9-26(10-12-28)25-5-3-2-4-6-25/h2-16,21-22,27,35H,17-20,23H2,1H3,(H,36,38)
InChIKeyYDSFQZNKXWKNDN-UHFFFAOYSA-N
XLogP7.48
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide (CID 44533179) is N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide is COc1ccc2[nH]cc(C3CCN(Cc4ccc(NC(=O)c5ccc(-c6ccccc6)cc5)cc4)CC3)c2c1.
What is the InChIKey of N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide?
The InChIKey is YDSFQZNKXWKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-39-30-15-16-33-31(21-30)32(22-35-33)27-17-19-37(20-18-27)23-24-7-13-29(14-8-24)36-34(38)28-11-9-26(10-12-28)25-5-3-2-4-6-25/h2-16,21-22,27,35H,17-20,23H2,1H3,(H,36,38).
What are the key properties of N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide?
N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide has a molecular weight of 515.66 g/mol, XLogP of 7.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 44533179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).