1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone

C20H29ClN2O2 — CID 56701264

IUPAC1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-25-16-19(24)23-13-9-20(10-14-23)7-2-11-22(12-8-20)15-17-3-5-18(21)6-4-17/h3-6H,2,7-16H2,1H3
InChIKeyPESSEANBCIBDHX-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.58
Rot. Bonds4

About 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone

1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone (PubChem CID 56701264) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone
PubChem CID56701264
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-25-16-19(24)23-13-9-20(10-14-23)7-2-11-22(12-8-20)15-17-3-5-18(21)6-4-17/h3-6H,2,7-16H2,1H3
InChIKeyPESSEANBCIBDHX-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone with MolForge

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-pentylacetamide
CID 145978924
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethylacetamide
CID 145990545
N-butyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 145991023
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-propylacetamide
CID 145994049
N-({1-[(4-Chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-YL}methyl)-2-methoxyacetamide
CID 91920949
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
US10927128, Example 76
CID 135374638
US10927128, Example 72
CID 135374669
US10927128, Example 73
CID 135374757
JOH-UNI-0e1753c1-1
CID 156906478
1-(2-Benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
CID 3233655
1-(9-Benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224

Frequently Asked Questions

What is the IUPAC name of 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone?
The IUPAC name of 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone (CID 56701264) is 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone?
The canonical SMILES for 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CCCN(Cc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone?
The InChIKey is PESSEANBCIBDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-25-16-19(24)23-13-9-20(10-14-23)7-2-11-22(12-8-20)15-17-3-5-18(21)6-4-17/h3-6H,2,7-16H2,1H3.
What are the key properties of 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone?
1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone has a molecular weight of 364.92 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[(4-chlorophenyl)methyl]-3,10-diazaspiro[5.6]dodecan-3-yl]-2-methoxyethanone is sourced from PubChem (CID 56701264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).