3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C22H35N3O — CID 131663585

IUPAC3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(COCC1CC1)N(Cc1cccnc1)C2
InChIInChI=1S/C22H35N3O/c1-18(2)24-10-7-22(8-11-24)12-21(16-26-15-19-5-6-19)25(17-22)14-20-4-3-9-23-13-20/h3-4,9,13,18-19,21H,5-8,10-12,14-17H2,1-2H3
InChIKeyDTMUPLFCPIZAFK-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.57
Rot. Bonds7

About 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 131663585) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID131663585
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(COCC1CC1)N(Cc1cccnc1)C2
InChIInChI=1S/C22H35N3O/c1-18(2)24-10-7-22(8-11-24)12-21(16-26-15-19-5-6-19)25(17-22)14-20-4-3-9-23-13-20/h3-4,9,13,18-19,21H,5-8,10-12,14-17H2,1-2H3
InChIKeyDTMUPLFCPIZAFK-UHFFFAOYSA-N
XLogP3.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155855914
2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 133140531
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131679665
[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681929
1-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 171693432
(3aR,5R,7aR)-5-(cyclopropylmethoxymethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379156
8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131662117
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131644582
1-methyl-8-propan-2-yl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233644
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 131663585) is 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is CC(C)N1CCC2(CC1)CC(COCC1CC1)N(Cc1cccnc1)C2.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is DTMUPLFCPIZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(2)24-10-7-22(8-11-24)12-21(16-26-15-19-5-6-19)25(17-22)14-20-4-3-9-23-13-20/h3-4,9,13,18-19,21H,5-8,10-12,14-17H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 357.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131663585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).