4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C28H38N4O4 — CID 66783972

IUPAC4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C(C)C)CC5)cc4)CC3)OCC2=O)cn1
InChIInChI=1S/C28H38N4O4/c1-21(2)30-14-10-25(11-15-30)36-24-7-4-22(5-8-24)31-16-12-28(13-17-31)20-32(27(33)19-35-28)23-6-9-26(34-3)29-18-23/h4-9,18,21,25H,10-17,19-20H2,1-3H3
InChIKeyOHEKLXDWROCBAO-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.74
Rot. Bonds6

About 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783972) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783972
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C(C)C)CC5)cc4)CC3)OCC2=O)cn1
InChIInChI=1S/C28H38N4O4/c1-21(2)30-14-10-25(11-15-30)36-24-7-4-22(5-8-24)31-16-12-28(13-17-31)20-32(27(33)19-35-28)23-6-9-26(34-3)29-18-23/h4-9,18,21,25H,10-17,19-20H2,1-3H3
InChIKeyOHEKLXDWROCBAO-UHFFFAOYSA-N
XLogP3.74
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[4-[4-(6-methoxy-3-pyridinyl)-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]phenoxy]piperidine-1-carboxylate
CID 66783656
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-methylpyrazol-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783787
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-imidazo[1,2-a]pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783557
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
4-(1-methylpyrazol-4-yl)-9-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980404
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(6-methyl-3-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 151463550
acetic acid;5-fluoro-2-methoxy-4-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]pyridine
CID 144629740
4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
CID 15986819
N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
CID 154379731
2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154236709
9-(2-methoxyethyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97415941

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783972) is 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1ccc(N2CC3(CCN(c4ccc(OC5CCN(C(C)C)CC5)cc4)CC3)OCC2=O)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OHEKLXDWROCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-21(2)30-14-10-25(11-15-30)36-24-7-4-22(5-8-24)31-16-12-28(13-17-31)20-32(27(33)19-35-28)23-6-9-26(34-3)29-18-23/h4-9,18,21,25H,10-17,19-20H2,1-3H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 494.64 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).