1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one

C27H31N3O2 — CID 24951464

IUPAC1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CCC3(CCCNC3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c31-26-19-25(32-20-22-5-2-1-3-6-22)11-16-30(26)24-9-7-23(8-10-24)29-17-13-27(14-18-29)12-4-15-28-21-27/h1-3,5-11,16,19,28H,4,12-15,17-18,20-21H2
InChIKeyDIQLOTVRXVICNA-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one

1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24951464) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID24951464
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CCC3(CCCNC3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c31-26-19-25(32-20-22-5-2-1-3-6-22)11-16-30(26)24-9-7-23(8-10-24)29-17-13-27(14-18-29)12-4-15-28-21-27/h1-3,5-11,16,19,28H,4,12-15,17-18,20-21H2
InChIKeyDIQLOTVRXVICNA-UHFFFAOYSA-N
XLogP4.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]pyridin-2-one
CID 66794301
1-[6-(3-amino-3-methylpyrrolidin-1-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxypyridin-2-one
CID 69194008
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepin-8-yl)pyridin-2-one
CID 76901669
4-phenylmethoxy-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyridin-2-one
CID 58964959
1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 71104059
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one (CID 24951464) is 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CCC3(CCCNC3)CC2)cc1.
What is the InChIKey of 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is DIQLOTVRXVICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c31-26-19-25(32-20-22-5-2-1-3-6-22)11-16-30(26)24-9-7-23(8-10-24)29-17-13-27(14-18-29)12-4-15-28-21-27/h1-3,5-11,16,19,28H,4,12-15,17-18,20-21H2.
What are the key properties of 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 429.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24951464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).