(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C22H27N3O2 — CID 3234525

IUPAC(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-20-5-3-18(4-6-20)21(26)24-15-10-22(11-16-24)9-2-14-25(17-22)19-7-12-23-13-8-19/h3-8,12-13H,2,9-11,14-17H2,1H3
InChIKeyZTSIRRAKTZUAOB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.61
Rot. Bonds3

About (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3234525) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3234525
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-20-5-3-18(4-6-20)21(26)24-15-10-22(11-16-24)9-2-14-25(17-22)19-7-12-23-13-8-19/h3-8,12-13H,2,9-11,14-17H2,1H3
InChIKeyZTSIRRAKTZUAOB-UHFFFAOYSA-N
XLogP3.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3234525) is (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is COc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZTSIRRAKTZUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-20-5-3-18(4-6-20)21(26)24-15-10-22(11-16-24)9-2-14-25(17-22)19-7-12-23-13-8-19/h3-8,12-13H,2,9-11,14-17H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3234525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).