4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

C33H38N4O2 — CID 44534384

IUPAC4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38)
InChIKeyFQVDYCWXCUHOPZ-UHFFFAOYSA-N
MW522.69 g/mol
LogP7.47
Rot. Bonds7

About 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide

4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 44534384) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID44534384
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC Name4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38)
InChIKeyFQVDYCWXCUHOPZ-UHFFFAOYSA-N
XLogP7.47
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide (CID 44534384) is 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FQVDYCWXCUHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c38-33(35-27-10-12-29(13-11-27)39-28-6-2-1-3-7-28)37-22-15-25(16-23-37)14-19-36-20-17-26(18-21-36)31-24-34-32-9-5-4-8-30(31)32/h1-13,24-26,34H,14-23H2,(H,35,38).
What are the key properties of 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 7.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44534384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).