[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone

C19H29F2NO3 — CID 97418737

IUPAC[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1
InChIInChI=1S/C19H29F2NO3/c20-19(21)9-15(10-19)17(23)22-6-3-18(4-7-22)5-8-24-12-16(18)13-25-11-14-1-2-14/h14-16H,1-13H2/t16-/m0/s1
InChIKeyFREOEDZRBINENP-INIZCTEOSA-N
MW357.44 g/mol
LogP3.10
Rot. Bonds5

About [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone

[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 97418737) has the molecular formula C19H29F2NO3 and a molecular weight of 357.44 g/mol. Its IUPAC name is [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID97418737
Molecular FormulaC19H29F2NO3
Molecular Weight357.44 g/mol
Exact Mass357.21
IUPAC Name[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1
InChIInChI=1S/C19H29F2NO3/c20-19(21)9-15(10-19)17(23)22-6-3-18(4-7-22)5-8-24-12-16(18)13-25-11-14-1-2-14/h14-16H,1-13H2/t16-/m0/s1
InChIKeyFREOEDZRBINENP-INIZCTEOSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
CID 131658496
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
CID 131660406
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131644047
[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418259
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
cyclopent-3-en-1-yl-[(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124787497
cyclopent-3-en-1-yl-[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131656162
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
cyclopent-3-en-1-yl-[(5S)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97476184
(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131680558
cyclopent-3-en-1-yl-[5-(pyridin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131661809

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone (CID 97418737) is [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1.
What is the InChIKey of [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is FREOEDZRBINENP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29F2NO3/c20-19(21)9-15(10-19)17(23)22-6-3-18(4-7-22)5-8-24-12-16(18)13-25-11-14-1-2-14/h14-16H,1-13H2/t16-/m0/s1.
What are the key properties of [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone?
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 357.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 97418737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).