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

C21H31N3O2 — CID 97453778

IUPAC[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-22-16-19(18-5-3-2-4-6-18)15-21(17-22)7-9-23(10-8-21)20(25)24-11-13-26-14-12-24/h2-6,19H,7-17H2,1H3/t19-/m0/s1
InChIKeyHNWCPDGTRLCBCD-IBGZPJMESA-N
MW357.50 g/mol
LogP2.64
Rot. Bonds1

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

[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone (PubChem CID 97453778) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
PubChem CID97453778
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C21H31N3O2/c1-22-16-19(18-5-3-2-4-6-18)15-21(17-22)7-9-23(10-8-21)20(25)24-11-13-26-14-12-24/h2-6,19H,7-17H2,1H3/t19-/m0/s1
InChIKeyHNWCPDGTRLCBCD-IBGZPJMESA-N
XLogP2.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
2-(N-methylanilino)-1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97444814
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72904104
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone (CID 97453778) is [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone is CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is HNWCPDGTRLCBCD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22-16-19(18-5-3-2-4-6-18)15-21(17-22)7-9-23(10-8-21)20(25)24-11-13-26-14-12-24/h2-6,19H,7-17H2,1H3/t19-/m0/s1.
What are the key properties of [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone?
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97453778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).