[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone

C22H33N3O2 — CID 97110511

IUPAC[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-23-17-20(19-6-4-3-5-7-19)16-22(18-23)8-10-24(11-9-22)21(26)25-12-14-27-15-13-25/h3-7,20H,2,8-18H2,1H3/t20-/m0/s1
InChIKeyVUYLAXCCDFZTEQ-FQEVSTJZSA-N
MW371.53 g/mol
LogP3.03
Rot. Bonds2

About [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone

[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone (PubChem CID 97110511) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
PubChem CID97110511
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-23-17-20(19-6-4-3-5-7-19)16-22(18-23)8-10-24(11-9-22)21(26)25-12-14-27-15-13-25/h3-7,20H,2,8-18H2,1H3/t20-/m0/s1
InChIKeyVUYLAXCCDFZTEQ-FQEVSTJZSA-N
XLogP3.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone (CID 97110511) is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone is CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is VUYLAXCCDFZTEQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-23-17-20(19-6-4-3-5-7-19)16-22(18-23)8-10-24(11-9-22)21(26)25-12-14-27-15-13-25/h3-7,20H,2,8-18H2,1H3/t20-/m0/s1.
What are the key properties of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 371.53 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97110511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).