N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C26H33N3O3 — CID 42594423

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C26H33N3O3/c1-18(2)29-14-11-21(12-15-29)32-25-16-19(8-9-24(25)31-3)26(30)27-13-10-20-17-28-23-7-5-4-6-22(20)23/h4-9,16-18,21,28H,10-15H2,1-3H3,(H,27,30)
InChIKeyOUDCAILZNKDJAY-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.40
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 42594423) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID42594423
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C26H33N3O3/c1-18(2)29-14-11-21(12-15-29)32-25-16-19(8-9-24(25)31-3)26(30)27-13-10-20-17-28-23-7-5-4-6-22(20)23/h4-9,16-18,21,28H,10-15H2,1-3H3,(H,27,30)
InChIKeyOUDCAILZNKDJAY-UHFFFAOYSA-N
XLogP4.40
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 42594423) is N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is OUDCAILZNKDJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)29-14-11-21(12-15-29)32-25-16-19(8-9-24(25)31-3)26(30)27-13-10-20-17-28-23-7-5-4-6-22(20)23/h4-9,16-18,21,28H,10-15H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 435.57 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 42594423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).