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

C32H37N3O2 — CID 44533157

IUPACN-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)c4ccc(-c5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C32H37N3O2/c1-37-28-14-15-31-29(22-28)30(23-34-31)26-16-20-35(21-17-26)19-7-3-6-18-33-32(36)27-12-10-25(11-13-27)24-8-4-2-5-9-24/h2,4-5,8-15,22-23,26,34H,3,6-7,16-21H2,1H3,(H,33,36)
InChIKeyXXQPHDRRYANHQF-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.62
Rot. Bonds10

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

N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide (PubChem CID 44533157) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide
PubChem CID44533157
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)c4ccc(-c5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C32H37N3O2/c1-37-28-14-15-31-29(22-28)30(23-34-31)26-16-20-35(21-17-26)19-7-3-6-18-33-32(36)27-12-10-25(11-13-27)24-8-4-2-5-9-24/h2,4-5,8-15,22-23,26,34H,3,6-7,16-21H2,1H3,(H,33,36)
InChIKeyXXQPHDRRYANHQF-UHFFFAOYSA-N
XLogP6.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide?
The IUPAC name of N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide (CID 44533157) is N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide?
The canonical SMILES for N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide is COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)c4ccc(-c5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide?
The InChIKey is XXQPHDRRYANHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-37-28-14-15-31-29(22-28)30(23-34-31)26-16-20-35(21-17-26)19-7-3-6-18-33-32(36)27-12-10-25(11-13-27)24-8-4-2-5-9-24/h2,4-5,8-15,22-23,26,34H,3,6-7,16-21H2,1H3,(H,33,36).
What are the key properties of N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide?
N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide has a molecular weight of 495.67 g/mol, XLogP of 6.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-4-phenylbenzamide is sourced from PubChem (CID 44533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).