(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H25ClN2O2 — CID 97475712

IUPAC(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)CN1C
InChIInChI=1S/C18H25ClN2O2/c1-20-13-18(11-16(20)12-23-2)6-8-21(9-7-18)17(22)14-4-3-5-15(19)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyBNWJMVUCEIXTBU-MRXNPFEDSA-N
MW336.86 g/mol
LogP2.91
Rot. Bonds3

About (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97475712) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97475712
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)CN1C
InChIInChI=1S/C18H25ClN2O2/c1-20-13-18(11-16(20)12-23-2)6-8-21(9-7-18)17(22)14-4-3-5-15(19)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyBNWJMVUCEIXTBU-MRXNPFEDSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97482492
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131680347
(3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843572
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
(3-chlorophenyl)-[(5S,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 124915399
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694714
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97475682
(4-fluorophenyl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134077951

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97475712) is (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COC[C@H]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)CN1C.
What is the InChIKey of (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is BNWJMVUCEIXTBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-20-13-18(11-16(20)12-23-2)6-8-21(9-7-18)17(22)14-4-3-5-15(19)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 336.86 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97475712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).