1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone

C20H30N2O3 — CID 97477211

IUPAC1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
SMILESCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1CC1CC1
InChIInChI=1S/C20H30N2O3/c1-24-15-17-6-7-20(22(17)14-16-4-5-16)8-10-21(11-9-20)19(23)13-18-3-2-12-25-18/h2-3,12,16-17H,4-11,13-15H2,1H3/t17-/m0/s1
InChIKeyMIWPQKUKSFPQHC-KRWDZBQOSA-N
MW346.47 g/mol
LogP2.70
Rot. Bonds6

About 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone

1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone (PubChem CID 97477211) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
PubChem CID97477211
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
SMILESCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1CC1CC1
InChIInChI=1S/C20H30N2O3/c1-24-15-17-6-7-20(22(17)14-16-4-5-16)8-10-21(11-9-20)19(23)13-18-3-2-12-25-18/h2-3,12,16-17H,4-11,13-15H2,1H3/t17-/m0/s1
InChIKeyMIWPQKUKSFPQHC-KRWDZBQOSA-N
XLogP2.70
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830102
[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128
[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171693943
1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 131650501
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
1-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 131650088
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97477667
2-(2,3-difluorophenyl)-1-[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131680233
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone (CID 97477211) is 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone is COC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1CC1CC1.
What is the InChIKey of 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone?
The InChIKey is MIWPQKUKSFPQHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-15-17-6-7-20(22(17)14-16-4-5-16)8-10-21(11-9-20)19(23)13-18-3-2-12-25-18/h2-3,12,16-17H,4-11,13-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone?
1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 97477211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).