N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C38H41N3O — CID 10209625

IUPACN-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCCc3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)CC2)c1
InChIInChI=1S/C38H41N3O/c1-28(2)38(42)39-32-16-11-15-31(27-32)29-22-25-40(26-23-29)24-12-20-35-34-19-9-10-21-36(34)41(33-17-7-4-8-18-33)37(35)30-13-5-3-6-14-30/h3-11,13-19,21,27-29H,12,20,22-26H2,1-2H3,(H,39,42)
InChIKeyAIMHBZDQVCJWPQ-UHFFFAOYSA-N
MW555.77 g/mol
LogP8.70
Rot. Bonds9

About N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 10209625) has the molecular formula C38H41N3O and a molecular weight of 555.77 g/mol. Its IUPAC name is N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID10209625
Molecular FormulaC38H41N3O
Molecular Weight555.77 g/mol
Exact Mass555.32
IUPAC NameN-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCCc3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)CC2)c1
InChIInChI=1S/C38H41N3O/c1-28(2)38(42)39-32-16-11-15-31(27-32)29-22-25-40(26-23-29)24-12-20-35-34-19-9-10-21-36(34)41(33-17-7-4-8-18-33)37(35)30-13-5-3-6-14-30/h3-11,13-19,21,27-29H,12,20,22-26H2,1-2H3,(H,39,42)
InChIKeyAIMHBZDQVCJWPQ-UHFFFAOYSA-N
XLogP8.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 10209625) is N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCc3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is AIMHBZDQVCJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O/c1-28(2)38(42)39-32-16-11-15-31(27-32)29-22-25-40(26-23-29)24-12-20-35-34-19-9-10-21-36(34)41(33-17-7-4-8-18-33)37(35)30-13-5-3-6-14-30/h3-11,13-19,21,27-29H,12,20,22-26H2,1-2H3,(H,39,42).
What are the key properties of N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 555.77 g/mol, XLogP of 8.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(1,2-diphenylindol-3-yl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 10209625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).