(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H26N2OS — CID 97139547

IUPAC(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(Cc3cccs3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C21H26N2OS/c1-22-16-21(14-19(20(22)24)17-6-3-2-4-7-17)9-11-23(12-10-21)15-18-8-5-13-25-18/h2-8,13,19H,9-12,14-16H2,1H3/t19-/m1/s1
InChIKeyIFHFQJYLKAPUSW-LJQANCHMSA-N
MW354.52 g/mol
LogP3.98
Rot. Bonds3

About (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97139547) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97139547
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(Cc3cccs3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C21H26N2OS/c1-22-16-21(14-19(20(22)24)17-6-3-2-4-7-17)9-11-23(12-10-21)15-18-8-5-13-25-18/h2-8,13,19H,9-12,14-16H2,1H3/t19-/m1/s1
InChIKeyIFHFQJYLKAPUSW-LJQANCHMSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97144452
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(3R)-2-propyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883084
(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 164634409
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97138060
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155841350
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97139547) is (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(Cc3cccs3)CC2)C[C@H](c2ccccc2)C1=O.
What is the InChIKey of (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IFHFQJYLKAPUSW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-22-16-21(14-19(20(22)24)17-6-3-2-4-7-17)9-11-23(12-10-21)15-18-8-5-13-25-18/h2-8,13,19H,9-12,14-16H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.52 g/mol, XLogP of 3.98, 3 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-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97139547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).