[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone

C23H34N2O2 — CID 124819418

IUPAC[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H]3COCC2CC2)cc1
InChIInChI=1S/C23H34N2O2/c1-3-18-6-8-20(9-7-18)22(26)25-12-10-23(11-13-25)17-24(2)14-21(23)16-27-15-19-4-5-19/h6-9,19,21H,3-5,10-17H2,1-2H3/t21-/m0/s1
InChIKeyQHVUVWUVWXCVPJ-NRFANRHFSA-N
MW370.54 g/mol
LogP3.46
Rot. Bonds6

About [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone

[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone (PubChem CID 124819418) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
PubChem CID124819418
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H]3COCC2CC2)cc1
InChIInChI=1S/C23H34N2O2/c1-3-18-6-8-20(9-7-18)22(26)25-12-10-23(11-13-25)17-24(2)14-21(23)16-27-15-19-4-5-19/h6-9,19,21H,3-5,10-17H2,1-2H3/t21-/m0/s1
InChIKeyQHVUVWUVWXCVPJ-NRFANRHFSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155832036
1-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 131678283
[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97478003
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681789
(3,5-dimethylphenyl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 91922040
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
CID 131658496
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131646900
(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124814820
[(4R,5R)-2-ethyl-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(4-ethylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155830989
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
CID 97486317
(3,4-difluorophenyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 97485532
[(5S,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-naphthalen-2-ylmethanone
CID 124821690

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone (CID 124819418) is [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H]3COCC2CC2)cc1.
What is the InChIKey of [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone?
The InChIKey is QHVUVWUVWXCVPJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-18-6-8-20(9-7-18)22(26)25-12-10-23(11-13-25)17-24(2)14-21(23)16-27-15-19-4-5-19/h6-9,19,21H,3-5,10-17H2,1-2H3/t21-/m0/s1.
What are the key properties of [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone?
[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone has a molecular weight of 370.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 124819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).