1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C22H26N2O — CID 134243020

IUPAC1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(CC3Cc4cccnc4C3)CC1)O2
InChIInChI=1S/C22H26N2O/c1-2-6-21-18(4-1)7-8-22(25-21)9-12-24(13-10-22)16-17-14-19-5-3-11-23-20(19)15-17/h1-6,11,17H,7-10,12-16H2
InChIKeyYNOPXWBOOOJJGI-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.66
Rot. Bonds2

About 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 134243020) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID134243020
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(CC3Cc4cccnc4C3)CC1)O2
InChIInChI=1S/C22H26N2O/c1-2-6-21-18(4-1)7-8-22(25-21)9-12-24(13-10-22)16-17-14-19-5-3-11-23-20(19)15-17/h1-6,11,17H,7-10,12-16H2
InChIKeyYNOPXWBOOOJJGI-UHFFFAOYSA-N
XLogP3.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 134243020) is 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1ccc2c(c1)CCC1(CCN(CC3Cc4cccnc4C3)CC1)O2.
What is the InChIKey of 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is YNOPXWBOOOJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-6-21-18(4-1)7-8-22(25-21)9-12-24(13-10-22)16-17-14-19-5-3-11-23-20(19)15-17/h1-6,11,17H,7-10,12-16H2.
What are the key properties of 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 334.46 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 134243020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).