[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H30N4O2 — CID 11652907

IUPAC[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)cn2C)CC1
InChIInChI=1S/C18H30N4O2/c1-15(2)21-4-6-22(7-5-21)18(23)17-12-16(13-19(17)3)14-20-8-10-24-11-9-20/h12-13,15H,4-11,14H2,1-3H3
InChIKeyUJZZHEZDYMLTEX-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.02
Rot. Bonds4

About [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11652907) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11652907
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)cn2C)CC1
InChIInChI=1S/C18H30N4O2/c1-15(2)21-4-6-22(7-5-21)18(23)17-12-16(13-19(17)3)14-20-8-10-24-11-9-20/h12-13,15H,4-11,14H2,1-3H3
InChIKeyUJZZHEZDYMLTEX-UHFFFAOYSA-N
XLogP1.02
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-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 [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11652907) is [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)cn2C)CC1.
What is the InChIKey of [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is UJZZHEZDYMLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(2)21-4-6-22(7-5-21)18(23)17-12-16(13-19(17)3)14-20-8-10-24-11-9-20/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(morpholin-4-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11652907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).