2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C22H41N5O2 — CID 58826254

IUPAC2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCN(CCN2CCOCC2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H41N5O2/c28-22(27-8-4-21(5-9-27)26-6-2-1-3-7-26)20-25-14-12-23(13-15-25)10-11-24-16-18-29-19-17-24/h21H,1-20H2
InChIKeyCLWONVWTCWLMHX-UHFFFAOYSA-N
MW407.60 g/mol
LogP0.41
Rot. Bonds6

About 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826254) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826254
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC Name2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCN(CCN2CCOCC2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H41N5O2/c28-22(27-8-4-21(5-9-27)26-6-2-1-3-7-26)20-25-14-12-23(13-15-25)10-11-24-16-18-29-19-17-24/h21H,1-20H2
InChIKeyCLWONVWTCWLMHX-UHFFFAOYSA-N
XLogP0.41
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826254) is 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is O=C(CN1CCN(CCN2CCOCC2)CC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is CLWONVWTCWLMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c28-22(27-8-4-21(5-9-27)26-6-2-1-3-7-26)20-25-14-12-23(13-15-25)10-11-24-16-18-29-19-17-24/h21H,1-20H2.
What are the key properties of 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 407.60 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).