(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H24N2OS — CID 97373826

IUPAC(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@@]3(CCN(Cc4cccs4)C3)C2=O)c1
InChIInChI=1S/C20H24N2OS/c1-16-4-2-5-17(12-16)13-22-10-8-20(19(22)23)7-9-21(15-20)14-18-6-3-11-24-18/h2-6,11-12H,7-10,13-15H2,1H3/t20-/m1/s1
InChIKeyBHOZUNMQYGTNIC-HXUWFJFHSA-N
MW340.49 g/mol
LogP3.68
Rot. Bonds4

About (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373826) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97373826
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CC[C@@]3(CCN(Cc4cccs4)C3)C2=O)c1
InChIInChI=1S/C20H24N2OS/c1-16-4-2-5-17(12-16)13-22-10-8-20(19(22)23)7-9-21(15-20)14-18-6-3-11-24-18/h2-6,11-12H,7-10,13-15H2,1H3/t20-/m1/s1
InChIKeyBHOZUNMQYGTNIC-HXUWFJFHSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155824896
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
2-[(3-methylphenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131643293
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one
CID 29150928
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205279
7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131659144
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
(5R)-2-[(3-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373884
(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 29002413
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
(5R)-7-(5-ethylpyrimidin-2-yl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451540

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97373826) is (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@@]3(CCN(Cc4cccs4)C3)C2=O)c1.
What is the InChIKey of (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is BHOZUNMQYGTNIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16-4-2-5-17(12-16)13-22-10-8-20(19(22)23)7-9-21(15-20)14-18-6-3-11-24-18/h2-6,11-12H,7-10,13-15H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 340.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).