cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

C19H25NO3 — CID 24724489

IUPACcyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)C1CCC1
InChIInChI=1S/C19H25NO3/c21-18(16-2-1-3-16)17-6-4-15(5-7-17)14-20-10-8-19(9-11-20)22-12-13-23-19/h4-7,16H,1-3,8-14H2
InChIKeyKJOSQNOIHWKPFR-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.01
Rot. Bonds4

About cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (PubChem CID 24724489) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
PubChem CID24724489
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namecyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)C1CCC1
InChIInChI=1S/C19H25NO3/c21-18(16-2-1-3-16)17-6-4-15(5-7-17)14-20-10-8-19(9-11-20)22-12-13-23-19/h4-7,16H,1-3,8-14H2
InChIKeyKJOSQNOIHWKPFR-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24725377
2-[4-(cyclobutanecarbonyl)phenyl]acetonitrile
CID 21431782
methyl 4-[[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]benzoate
CID 164690954
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724922
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868
1-[4-[[3-[[4-(4-benzoylpiperidine-1-carbonyl)phenyl]methyl]-2-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]phenyl]ethanone
CID 163972967
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 86827290

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The IUPAC name of cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (CID 24724489) is cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The canonical SMILES for cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)C1CCC1.
What is the InChIKey of cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The InChIKey is KJOSQNOIHWKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(16-2-1-3-16)17-6-4-15(5-7-17)14-20-10-8-19(9-11-20)22-12-13-23-19/h4-7,16H,1-3,8-14H2.
What are the key properties of cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone has a molecular weight of 315.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).