4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

C26H34N4O — CID 160824501

IUPAC4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCC(C)N1CCN(c2cccc(-c3nccc4c3C=C(CN3CCOCC3)C4)c2)CC1
InChIInChI=1S/C26H34N4O/c1-20(2)29-8-10-30(11-9-29)24-5-3-4-23(18-24)26-25-17-21(16-22(25)6-7-27-26)19-28-12-14-31-15-13-28/h3-7,17-18,20H,8-16,19H2,1-2H3
InChIKeySFZDNFHWAIVYHQ-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.55
Rot. Bonds5

About 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine

4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (PubChem CID 160824501) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
PubChem CID160824501
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
SMILESCC(C)N1CCN(c2cccc(-c3nccc4c3C=C(CN3CCOCC3)C4)c2)CC1
InChIInChI=1S/C26H34N4O/c1-20(2)29-8-10-30(11-9-29)24-5-3-4-23(18-24)26-25-17-21(16-22(25)6-7-27-26)19-28-12-14-31-15-13-28/h3-7,17-18,20H,8-16,19H2,1-2H3
InChIKeySFZDNFHWAIVYHQ-UHFFFAOYSA-N
XLogP3.55
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 149303077
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
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
methyl-[4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenoxy]piperidin-1-yl]borinic acid
CID 157087652
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 158913491
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126679861
4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
CID 23728822
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117469350

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine (CID 160824501) is 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is CC(C)N1CCN(c2cccc(-c3nccc4c3C=C(CN3CCOCC3)C4)c2)CC1.
What is the InChIKey of 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
The InChIKey is SFZDNFHWAIVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-20(2)29-8-10-30(11-9-29)24-5-3-4-23(18-24)26-25-17-21(16-22(25)6-7-27-26)19-28-12-14-31-15-13-28/h3-7,17-18,20H,8-16,19H2,1-2H3.
What are the key properties of 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine?
4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine has a molecular weight of 418.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine is sourced from PubChem (CID 160824501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).