[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone

C21H30N2O3 — CID 97486317

IUPAC[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1
InChIInChI=1S/C21H30N2O3/c24-20(18-5-8-25-12-18)23-7-6-21(15-23)14-22(9-16-1-2-16)10-19(21)13-26-11-17-3-4-17/h5,8,12,16-17,19H,1-4,6-7,9-11,13-15H2/t19-,21-/m1/s1
InChIKeyCIRGLCFIWOKUHQ-TZIWHRDSSA-N
MW358.48 g/mol
LogP2.88
Rot. Bonds7

About [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone

[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone (PubChem CID 97486317) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
PubChem CID97486317
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1
InChIInChI=1S/C21H30N2O3/c24-20(18-5-8-25-12-18)23-7-6-21(15-23)14-22(9-16-1-2-16)10-19(21)13-26-11-17-3-4-17/h5,8,12,16-17,19H,1-4,6-7,9-11,13-15H2/t19-,21-/m1/s1
InChIKeyCIRGLCFIWOKUHQ-TZIWHRDSSA-N
XLogP2.88
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124797468
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methylthiophen-2-yl)methanone
CID 97484929
1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133140726
(4S,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125213110
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(2-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155850977
cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 97482154
[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
CID 124819418
(4S,5R)-7-cyclobutyl-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155831538
[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The IUPAC name of [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone (CID 97486317) is [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1.
What is the InChIKey of [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The InChIKey is CIRGLCFIWOKUHQ-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20(18-5-8-25-12-18)23-7-6-21(15-23)14-22(9-16-1-2-16)10-19(21)13-26-11-17-3-4-17/h5,8,12,16-17,19H,1-4,6-7,9-11,13-15H2/t19-,21-/m1/s1.
What are the key properties of [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone has a molecular weight of 358.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).