1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine

C29H34N4O2 — CID 68694122

IUPAC1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine
SMILESNCCC(N)c1ccnc2oc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H34N4O2/c30-15-13-25(31)24-14-16-32-29-27(24)26(21-7-3-1-4-8-21)28(35-29)22-9-11-23(12-10-22)34-20-19-33-17-5-2-6-18-33/h1,3-4,7-12,14,16,25H,2,5-6,13,15,17-20,30-31H2
InChIKeyRMUBDTKGZHOLPB-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.38
Rot. Bonds9

About 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine

1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine (PubChem CID 68694122) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound Name1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine
PubChem CID68694122
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine
SMILESNCCC(N)c1ccnc2oc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H34N4O2/c30-15-13-25(31)24-14-16-32-29-27(24)26(21-7-3-1-4-8-21)28(35-29)22-9-11-23(12-10-22)34-20-19-33-17-5-2-6-18-33/h1,3-4,7-12,14,16,25H,2,5-6,13,15,17-20,30-31H2
InChIKeyRMUBDTKGZHOLPB-UHFFFAOYSA-N
XLogP5.38
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11663866
5-phenyl-N-(2-piperazin-1-ylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11684933
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine;ethane
CID 143163768
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
CID 11605267
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol
CID 12017767

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine?
The IUPAC name of 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine (CID 68694122) is 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine.
What is the SMILES notation for 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine?
The canonical SMILES for 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine is NCCC(N)c1ccnc2oc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine?
The InChIKey is RMUBDTKGZHOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c30-15-13-25(31)24-14-16-32-29-27(24)26(21-7-3-1-4-8-21)28(35-29)22-9-11-23(12-10-22)34-20-19-33-17-5-2-6-18-33/h1,3-4,7-12,14,16,25H,2,5-6,13,15,17-20,30-31H2.
What are the key properties of 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine?
1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine has a molecular weight of 470.62 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 68694122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).