9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C29H40N4O2 — CID 151463550

IUPAC9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCOC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)cc4)CC3)C2)cn1
InChIInChI=1S/C29H40N4O2/c1-23-5-6-26(21-30-23)33-19-20-34-29(22-33)13-17-32(18-14-29)25-7-9-27(10-8-25)35-28-11-15-31(16-12-28)24-3-2-4-24/h5-10,21,24,28H,2-4,11-20,22H2,1H3
InChIKeyPIZBUAJQRNICLT-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.66
Rot. Bonds5

About 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 151463550) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID151463550
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Name9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCOC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)cc4)CC3)C2)cn1
InChIInChI=1S/C29H40N4O2/c1-23-5-6-26(21-30-23)33-19-20-34-29(22-33)13-17-32(18-14-29)25-7-9-27(10-8-25)35-28-11-15-31(16-12-28)24-3-2-4-24/h5-10,21,24,28H,2-4,11-20,22H2,1H3
InChIKeyPIZBUAJQRNICLT-UHFFFAOYSA-N
XLogP4.66
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 151463550) is 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCOC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)cc4)CC3)C2)cn1.
What is the InChIKey of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is PIZBUAJQRNICLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-23-5-6-26(21-30-23)33-19-20-34-29(22-33)13-17-32(18-14-29)25-7-9-27(10-8-25)35-28-11-15-31(16-12-28)24-3-2-4-24/h5-10,21,24,28H,2-4,11-20,22H2,1H3.
What are the key properties of 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 476.67 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 151463550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).