formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one

C25H39N3O7 — CID 171317278

IUPACformic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2ccc(OCCCN3CCOCC3)cc2)C1=O.O=CO.O=CO
InChIInChI=1S/C23H35N3O3.2CH2O2/c1-24-11-2-9-23(22(24)27)10-3-13-26(23)19-20-5-7-21(8-6-20)29-16-4-12-25-14-17-28-18-15-25;2*2-1-3/h5-8H,2-4,9-19H2,1H3;2*1H,(H,2,3)
InChIKeyUSKPVHHKZJLMJV-UHFFFAOYSA-N
MW493.60 g/mol
LogP1.78
Rot. Bonds7

About formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one

formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 171317278) has the molecular formula C25H39N3O7 and a molecular weight of 493.60 g/mol. Its IUPAC name is formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Nameformic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID171317278
Molecular FormulaC25H39N3O7
Molecular Weight493.60 g/mol
Exact Mass493.28
IUPAC Nameformic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2ccc(OCCCN3CCOCC3)cc2)C1=O.O=CO.O=CO
InChIInChI=1S/C23H35N3O3.2CH2O2/c1-24-11-2-9-23(22(24)27)10-3-13-26(23)19-20-5-7-21(8-6-20)29-16-4-12-25-14-17-28-18-15-25;2*2-1-3/h5-8H,2-4,9-19H2,1H3;2*1H,(H,2,3)
InChIKeyUSKPVHHKZJLMJV-UHFFFAOYSA-N
XLogP1.78
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-methyl-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633253
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CID 171317056
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
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CID 135096793
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
CID 74230951
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
formic acid;(1S,5R)-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155971785
N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide
CID 139417982
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604

Frequently Asked Questions

What is the IUPAC name of formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 171317278) is formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2Cc2ccc(OCCCN3CCOCC3)cc2)C1=O.O=CO.O=CO.
What is the InChIKey of formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is USKPVHHKZJLMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3.2CH2O2/c1-24-11-2-9-23(22(24)27)10-3-13-26(23)19-20-5-7-21(8-6-20)29-16-4-12-25-14-17-28-18-15-25;2*2-1-3/h5-8H,2-4,9-19H2,1H3;2*1H,(H,2,3).
What are the key properties of formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 493.60 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 171317278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).