(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

C17H21ClN2O3 — CID 97476567

IUPAC(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@@H]1C(=O)NCC12CCN(C(=O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C17H21ClN2O3/c1-23-10-14-15(21)19-11-17(14)5-7-20(8-6-17)16(22)12-3-2-4-13(18)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyCOHJSHUPUJJPQU-CQSZACIVSA-N
MW336.82 g/mol
LogP1.95
Rot. Bonds3

About (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one

(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476567) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476567
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOC[C@@H]1C(=O)NCC12CCN(C(=O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C17H21ClN2O3/c1-23-10-14-15(21)19-11-17(14)5-7-20(8-6-17)16(22)12-3-2-4-13(18)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyCOHJSHUPUJJPQU-CQSZACIVSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(methoxymethyl)-8-(5-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97474206
(4S)-8-(2,5-dimethylfuran-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476246
4-(methoxymethyl)-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133136840
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
(3-chlorophenyl)-[(5S,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 124915399
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449792

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97476567) is (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is COC[C@@H]1C(=O)NCC12CCN(C(=O)c1cccc(Cl)c1)CC2.
What is the InChIKey of (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is COHJSHUPUJJPQU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-23-10-14-15(21)19-11-17(14)5-7-20(8-6-17)16(22)12-3-2-4-13(18)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one?
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 336.82 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).