8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H31N3O3 — CID 66783967

IUPAC8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)O1
InChIInChI=1S/C21H31N3O3/c25-20-22-17-21(27-20)9-14-24(15-10-21)18-5-7-19(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2,(H,22,25)
InChIKeyHIBIBIHVDCLOPC-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.02
Rot. Bonds6

About 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66783967) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66783967
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)O1
InChIInChI=1S/C21H31N3O3/c25-20-22-17-21(27-20)9-14-24(15-10-21)18-5-7-19(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2,(H,22,25)
InChIKeyHIBIBIHVDCLOPC-UHFFFAOYSA-N
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783441
4-ethyl-9-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784198
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 15979790
4-(2-fluoro-4-pyridinyl)-9-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783828
4-(3,4-difluorophenyl)-9-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980160
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
4-(2,4-difluorophenyl)-9-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980161
4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
CID 66783418
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10114968

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66783967) is 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)O1.
What is the InChIKey of 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HIBIBIHVDCLOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20-22-17-21(27-20)9-14-24(15-10-21)18-5-7-19(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2,(H,22,25).
What are the key properties of 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 373.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66783967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).