2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C21H31N3O2 — CID 131676762

IUPAC2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CN(Cc2ccccn2)CC12CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C21H31N3O2/c1-26-15-18-13-23(14-19-4-2-3-9-22-19)16-21(18)7-10-24(11-8-21)20(25)12-17-5-6-17/h2-4,9,17-18H,5-8,10-16H2,1H3
InChIKeyVNKYCQFVDSZTEH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.57
Rot. Bonds6

About 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 131676762) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID131676762
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CN(Cc2ccccn2)CC12CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C21H31N3O2/c1-26-15-18-13-23(14-19-4-2-3-9-22-19)16-21(18)7-10-24(11-8-21)20(25)12-17-5-6-17/h2-4,9,17-18H,5-8,10-16H2,1H3
InChIKeyVNKYCQFVDSZTEH-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopropylsulfonyl-4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692801
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
[4-(methoxymethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 131658294
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
furan-2-yl-[4-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693857
2-(dimethylamino)-1-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131678281
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487163
(4R,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124793847
1-[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 155830688
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131654504
(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493139
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 131676762) is 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC1CN(Cc2ccccn2)CC12CCN(C(=O)CC1CC1)CC2.
What is the InChIKey of 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is VNKYCQFVDSZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-26-15-18-13-23(14-19-4-2-3-9-22-19)16-21(18)7-10-24(11-8-21)20(25)12-17-5-6-17/h2-4,9,17-18H,5-8,10-16H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 131676762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).