[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone

C21H29NO3 — CID 131658496

IUPAC[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCOCC2COCC2CC2)CC1
InChIInChI=1S/C21H29NO3/c23-20(18-4-2-1-3-5-18)22-11-8-21(9-12-22)10-13-24-15-19(21)16-25-14-17-6-7-17/h1-5,17,19H,6-16H2
InChIKeyAQGFJWKYISAXGS-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.37
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone

[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone (PubChem CID 131658496) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
PubChem CID131658496
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCOCC2COCC2CC2)CC1
InChIInChI=1S/C21H29NO3/c23-20(18-4-2-1-3-5-18)22-11-8-21(9-12-22)10-13-24-15-19(21)16-25-14-17-6-7-17/h1-5,17,19H,6-16H2
InChIKeyAQGFJWKYISAXGS-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.37
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]-(5-methyl-3-pyridinyl)methanone
CID 131660406
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
cyclohexen-1-yl-[(5R)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97418659
[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
CID 124819418
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836455

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone (CID 131658496) is [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CCOCC2COCC2CC2)CC1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The InChIKey is AQGFJWKYISAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c23-20(18-4-2-1-3-5-18)22-11-8-21(9-12-22)10-13-24-15-19(21)16-25-14-17-6-7-17/h1-5,17,19H,6-16H2.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone has a molecular weight of 343.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone is sourced from PubChem (CID 131658496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).