[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone

C21H30ClN3O2 — CID 24899256

IUPAC[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
SMILESCC(C)N1CC2(CCN(C(=O)N3CCOCC3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN3O2/c1-16(2)25-15-21(19(25)17-3-5-18(22)6-4-17)7-9-23(10-8-21)20(26)24-11-13-27-14-12-24/h3-6,16,19H,7-15H2,1-2H3
InChIKeyAFMYHRABGCGEJW-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.64
Rot. Bonds2

About [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone

[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone (PubChem CID 24899256) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
PubChem CID24899256
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
SMILESCC(C)N1CC2(CCN(C(=O)N3CCOCC3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN3O2/c1-16(2)25-15-21(19(25)17-3-5-18(22)6-4-17)7-9-23(10-8-21)20(26)24-11-13-27-14-12-24/h3-6,16,19H,7-15H2,1-2H3
InChIKeyAFMYHRABGCGEJW-UHFFFAOYSA-N
XLogP3.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone (CID 24899256) is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone is CC(C)N1CC2(CCN(C(=O)N3CCOCC3)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The InChIKey is AFMYHRABGCGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-16(2)25-15-21(19(25)17-3-5-18(22)6-4-17)7-9-23(10-8-21)20(26)24-11-13-27-14-12-24/h3-6,16,19H,7-15H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone has a molecular weight of 391.94 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24899256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).