4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

C24H30N4O — CID 159056435

IUPAC4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCN1CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-26-8-10-28(11-9-26)22-4-2-20(3-5-22)24-23-17-19(16-21(23)6-7-25-24)18-27-12-14-29-15-13-27/h2-7,17H,8-16,18H2,1H3
InChIKeyJXXMLSGNKKDVHG-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.77
Rot. Bonds4

About 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (PubChem CID 159056435) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
PubChem CID159056435
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCN1CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-26-8-10-28(11-9-26)22-4-2-20(3-5-22)24-23-17-19(16-21(23)6-7-25-24)18-27-12-14-29-15-13-27/h2-7,17H,8-16,18H2,1H3
InChIKeyJXXMLSGNKKDVHG-UHFFFAOYSA-N
XLogP2.77
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 149356736
4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 160824501
4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 149303077
methyl-[4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenoxy]piperidin-1-yl]borinic acid
CID 157087652
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
4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 158913491
4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine
CID 118152811
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
4-[[4-(4-imidazolidin-1-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 123807409
1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 25204039

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (CID 159056435) is 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is CN1CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1.
What is the InChIKey of 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The InChIKey is JXXMLSGNKKDVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-26-8-10-28(11-9-26)22-4-2-20(3-5-22)24-23-17-19(16-21(23)6-7-25-24)18-27-12-14-29-15-13-27/h2-7,17H,8-16,18H2,1H3.
What are the key properties of 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine has a molecular weight of 390.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is sourced from PubChem (CID 159056435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).