[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C21H33N5O2 — CID 56740317

IUPAC[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1
InChIInChI=1S/C21H33N5O2/c1-2-23-9-11-25(12-10-23)20-4-3-18(17-22-20)21(27)26-7-5-19(6-8-26)24-13-15-28-16-14-24/h3-4,17,19H,2,5-16H2,1H3
InChIKeyZJZMNSMUIFJDCN-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.16
Rot. Bonds4

About [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56740317) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56740317
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1
InChIInChI=1S/C21H33N5O2/c1-2-23-9-11-25(12-10-23)20-4-3-18(17-22-20)21(27)26-7-5-19(6-8-26)24-13-15-28-16-14-24/h3-4,17,19H,2,5-16H2,1H3
InChIKeyZJZMNSMUIFJDCN-UHFFFAOYSA-N
XLogP1.16
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone 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 [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56740317) is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is CCN1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZJZMNSMUIFJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-2-23-9-11-25(12-10-23)20-4-3-18(17-22-20)21(27)26-7-5-19(6-8-26)24-13-15-28-16-14-24/h3-4,17,19H,2,5-16H2,1H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56740317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).