[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone

C23H26N2O5 — CID 58245552

IUPAC[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCC2(CC1)OCCN2C(=O)c1ccc(CO)cc1
InChIInChI=1S/C23H26N2O5/c26-15-17-1-5-19(6-2-17)21(28)24-11-9-23(10-12-24)25(13-14-30-23)22(29)20-7-3-18(16-27)4-8-20/h1-8,26-27H,9-16H2
InChIKeyYVMOTTHSYWCZTR-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.78
Rot. Bonds4

About [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone

[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 58245552) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone
PubChem CID58245552
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCC2(CC1)OCCN2C(=O)c1ccc(CO)cc1
InChIInChI=1S/C23H26N2O5/c26-15-17-1-5-19(6-2-17)21(28)24-11-9-23(10-12-24)25(13-14-30-23)22(29)20-7-3-18(16-27)4-8-20/h1-8,26-27H,9-16H2
InChIKeyYVMOTTHSYWCZTR-UHFFFAOYSA-N
XLogP1.78
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-nitrophenyl)methanone
CID 46199252
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(4-fluorophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
CID 46299736
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 135098550
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone (CID 58245552) is [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(CO)cc1)N1CCC2(CC1)OCCN2C(=O)c1ccc(CO)cc1.
What is the InChIKey of [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is YVMOTTHSYWCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-15-17-1-5-19(6-2-17)21(28)24-11-9-23(10-12-24)25(13-14-30-23)22(29)20-7-3-18(16-27)4-8-20/h1-8,26-27H,9-16H2.
What are the key properties of [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone?
[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 410.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 58245552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).