2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C20H26ClN3O3 — CID 72844836

IUPAC2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)N3CCOCC3)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O3/c21-17-3-1-16(2-4-17)14-24-15-20(13-18(24)25)5-7-22(8-6-20)19(26)23-9-11-27-12-10-23/h1-4H,5-15H2
InChIKeyRHFWPICGEJIKTB-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.61
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72844836) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72844836
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)N3CCOCC3)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O3/c21-17-3-1-16(2-4-17)14-24-15-20(13-18(24)25)5-7-22(8-6-20)19(26)23-9-11-27-12-10-23/h1-4H,5-15H2
InChIKeyRHFWPICGEJIKTB-UHFFFAOYSA-N
XLogP2.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72844836) is 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)N3CCOCC3)CC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RHFWPICGEJIKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-17-3-1-16(2-4-17)14-24-15-20(13-18(24)25)5-7-22(8-6-20)19(26)23-9-11-27-12-10-23/h1-4H,5-15H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 391.90 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72844836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).