[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone

C19H28N2O3 — CID 97475215

IUPAC[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
SMILESCN1CC2(CCN(C(=O)c3ccoc3)CC2)C[C@H]1COCC1CC1
InChIInChI=1S/C19H28N2O3/c1-20-14-19(10-17(20)13-24-11-15-2-3-15)5-7-21(8-6-19)18(22)16-4-9-23-12-16/h4,9,12,15,17H,2-3,5-8,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyCNIBUONVVNWCHS-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.63
Rot. Bonds5

About [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone

[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone (PubChem CID 97475215) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
PubChem CID97475215
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
SMILESCN1CC2(CCN(C(=O)c3ccoc3)CC2)C[C@H]1COCC1CC1
InChIInChI=1S/C19H28N2O3/c1-20-14-19(10-17(20)13-24-11-15-2-3-15)5-7-21(8-6-19)18(22)16-4-9-23-12-16/h4,9,12,15,17H,2-3,5-8,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyCNIBUONVVNWCHS-KRWDZBQOSA-N
XLogP2.63
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 97486240
[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
CID 97486317
[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 131679974
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131680347
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97482492

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone (CID 97475215) is [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone is CN1CC2(CCN(C(=O)c3ccoc3)CC2)C[C@H]1COCC1CC1.
What is the InChIKey of [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
The InChIKey is CNIBUONVVNWCHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20-14-19(10-17(20)13-24-11-15-2-3-15)5-7-21(8-6-19)18(22)16-4-9-23-12-16/h4,9,12,15,17H,2-3,5-8,10-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone?
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97475215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).