(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone

C21H28N4O2 — CID 25061409

IUPAC(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2
InChIKeyAHWJQRYTAKRHON-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.92
Rot. Bonds4

About (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone (PubChem CID 25061409) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
PubChem CID25061409
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2
InChIKeyAHWJQRYTAKRHON-UHFFFAOYSA-N
XLogP1.92
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone (CID 25061409) is (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone is O=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The InChIKey is AHWJQRYTAKRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 25061409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).