4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

C23H28N4O — CID 149303077

IUPAC4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESC1=C(CN2CCOCC2)Cc2ccnc(-c3cccc(N4CCNCC4)c3)c21
InChIInChI=1S/C23H28N4O/c1-2-20(16-21(3-1)27-8-6-24-7-9-27)23-22-15-18(14-19(22)4-5-25-23)17-26-10-12-28-13-11-26/h1-5,15-16,24H,6-14,17H2
InChIKeyXXDJBJJCSDWJFP-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.43
Rot. Bonds4

About 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (PubChem CID 149303077) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
PubChem CID149303077
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESC1=C(CN2CCOCC2)Cc2ccnc(-c3cccc(N4CCNCC4)c3)c21
InChIInChI=1S/C23H28N4O/c1-2-20(16-21(3-1)27-8-6-24-7-9-27)23-22-15-18(14-19(22)4-5-25-23)17-26-10-12-28-13-11-26/h1-5,15-16,24H,6-14,17H2
InChIKeyXXDJBJJCSDWJFP-UHFFFAOYSA-N
XLogP2.43
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 160824501
4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 159056435
4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 149356736
methyl-[4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenoxy]piperidin-1-yl]borinic acid
CID 157087652
4-[[4-(4-imidazolidin-1-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 123807409
6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
CID 154914716
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
CID 171833564
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridine-6-carbaldehyde;1-[[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]azetidin-3-ol
CID 160653052
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (CID 149303077) is 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is C1=C(CN2CCOCC2)Cc2ccnc(-c3cccc(N4CCNCC4)c3)c21.
What is the InChIKey of 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The InChIKey is XXDJBJJCSDWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-20(16-21(3-1)27-8-6-24-7-9-27)23-22-15-18(14-19(22)4-5-25-23)17-26-10-12-28-13-11-26/h1-5,15-16,24H,6-14,17H2.
What are the key properties of 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine has a molecular weight of 376.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is sourced from PubChem (CID 149303077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).