1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one

C20H27ClN2O2 — CID 24759743

IUPAC1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-16-4-2-15(3-5-16)14-22-12-1-10-20(22)11-13-23(19(20)25)17-6-8-18(24)9-7-17/h2-5,17-18,24H,1,6-14H2
InChIKeyGMLNAJHWPAMVMR-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.21
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one

1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759743) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759743
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-16-4-2-15(3-5-16)14-22-12-1-10-20(22)11-13-23(19(20)25)17-6-8-18(24)9-7-17/h2-5,17-18,24H,1,6-14H2
InChIKeyGMLNAJHWPAMVMR-UHFFFAOYSA-N
XLogP3.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one (CID 24759743) is 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCC(O)CC2)CCC12CCCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is GMLNAJHWPAMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-16-4-2-15(3-5-16)14-22-12-1-10-20(22)11-13-23(19(20)25)17-6-8-18(24)9-7-17/h2-5,17-18,24H,1,6-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one?
1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 362.90 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).