[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone

C21H30N2O3 — CID 131660406

IUPAC[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC3(CCOCC3COCC3CC3)CC2)c1
InChIInChI=1S/C21H30N2O3/c1-16-10-18(12-22-11-16)20(24)23-7-4-21(5-8-23)6-9-25-14-19(21)15-26-13-17-2-3-17/h10-12,17,19H,2-9,13-15H2,1H3
InChIKeyMTSAIZIETPIUAF-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.08
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone

[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 131660406) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID131660406
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC3(CCOCC3COCC3CC3)CC2)c1
InChIInChI=1S/C21H30N2O3/c1-16-10-18(12-22-11-16)20(24)23-7-4-21(5-8-23)6-9-25-14-19(21)15-26-13-17-2-3-17/h10-12,17,19H,2-9,13-15H2,1H3
InChIKeyMTSAIZIETPIUAF-UHFFFAOYSA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
CID 131658496
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97474206
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
CID 131663291
(5S)-5-(cyclopropylmethoxymethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97477164
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
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone (CID 131660406) is [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCC3(CCOCC3COCC3CC3)CC2)c1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is MTSAIZIETPIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-10-18(12-22-11-16)20(24)23-7-4-21(5-8-23)6-9-25-14-19(21)15-26-13-17-2-3-17/h10-12,17,19H,2-9,13-15H2,1H3.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone?
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 358.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 131660406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).