[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C21H31N3O2 — CID 97474856

IUPAC[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCCOC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)N1CC1CC1
InChIInChI=1S/C21H31N3O2/c1-2-26-16-19-5-8-21(24(19)15-17-3-4-17)9-13-23(14-10-21)20(25)18-6-11-22-12-7-18/h6-7,11-12,17,19H,2-5,8-10,13-16H2,1H3/t19-/m1/s1
InChIKeyDHNNCTKOVSLADC-LJQANCHMSA-N
MW357.50 g/mol
LogP2.97
Rot. Bonds6

About [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 97474856) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID97474856
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCCOC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)N1CC1CC1
InChIInChI=1S/C21H31N3O2/c1-2-26-16-19-5-8-21(24(19)15-17-3-4-17)9-13-23(14-10-21)20(25)18-6-11-22-12-7-18/h6-7,11-12,17,19H,2-5,8-10,13-16H2,1H3/t19-/m1/s1
InChIKeyDHNNCTKOVSLADC-LJQANCHMSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(2S)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97476128
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
[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-[(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-(furan-2-yl)ethanone
CID 97477211
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
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)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477
[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 97474856) is [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is CCOC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)N1CC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is DHNNCTKOVSLADC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-26-16-19-5-8-21(24(19)15-17-3-4-17)9-13-23(14-10-21)20(25)18-6-11-22-12-7-18/h6-7,11-12,17,19H,2-5,8-10,13-16H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylmethyl)-2-(ethoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97474856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).