2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H31N3O3 — CID 97127014

IUPAC2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O3/c26-20-6-7-22(17-25(20)16-18-4-2-1-3-5-18)8-11-24(12-9-22)21(27)14-19-15-23-10-13-28-19/h1-5,19,23H,6-17H2/t19-/m0/s1
InChIKeyHGRQZTKFEXKTPC-IBGZPJMESA-N
MW385.51 g/mol
LogP1.80
Rot. Bonds4

About 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97127014) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97127014
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O3/c26-20-6-7-22(17-25(20)16-18-4-2-1-3-5-18)8-11-24(12-9-22)21(27)14-19-15-23-10-13-28-19/h1-5,19,23H,6-17H2/t19-/m0/s1
InChIKeyHGRQZTKFEXKTPC-IBGZPJMESA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97127014) is 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C(C[C@H]1CNCCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HGRQZTKFEXKTPC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20-6-7-22(17-25(20)16-18-4-2-1-3-5-18)8-11-24(12-9-22)21(27)14-19-15-23-10-13-28-19/h1-5,19,23H,6-17H2/t19-/m0/s1.
What are the key properties of 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 385.51 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97127014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).