3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine

C20H31N7O — CID 141089876

IUPAC3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine
SMILESc1ccn(C2OCCN(N3CCNCC3)C2(N2CCCCC2)n2ccnc2)c1
InChIInChI=1S/C20H31N7O/c1-2-11-24(12-3-1)20(25-13-6-22-18-25)19(23-9-4-5-10-23)28-17-16-27(20)26-14-7-21-8-15-26/h4-6,9-10,13,18-19,21H,1-3,7-8,11-12,14-17H2
InChIKeyYNSAHZIMXAINMJ-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.13
Rot. Bonds4

About 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine

3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine (PubChem CID 141089876) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine.

Molecular Properties

Compound Name3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine
PubChem CID141089876
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine
SMILESc1ccn(C2OCCN(N3CCNCC3)C2(N2CCCCC2)n2ccnc2)c1
InChIInChI=1S/C20H31N7O/c1-2-11-24(12-3-1)20(25-13-6-22-18-25)19(23-9-4-5-10-23)28-17-16-27(20)26-14-7-21-8-15-26/h4-6,9-10,13,18-19,21H,1-3,7-8,11-12,14-17H2
InChIKeyYNSAHZIMXAINMJ-UHFFFAOYSA-N
XLogP1.13
TPSA53.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine?
The IUPAC name of 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine (CID 141089876) is 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine.
What is the SMILES notation for 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine?
The canonical SMILES for 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine is c1ccn(C2OCCN(N3CCNCC3)C2(N2CCCCC2)n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine?
The InChIKey is YNSAHZIMXAINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-2-11-24(12-3-1)20(25-13-6-22-18-25)19(23-9-4-5-10-23)28-17-16-27(20)26-14-7-21-8-15-26/h4-6,9-10,13,18-19,21H,1-3,7-8,11-12,14-17H2.
What are the key properties of 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine?
3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine has a molecular weight of 385.52 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-4-piperazin-1-yl-3-piperidin-1-yl-2-pyrrol-1-ylmorpholine is sourced from PubChem (CID 141089876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).