2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one

C22H26N4O2 — CID 175641180

IUPAC2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(CNc1cccnc1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C22H26N4O2/c27-20(16-24-19-7-4-11-23-15-19)26-14-10-22(17-26)9-13-25(21(22)28)12-8-18-5-2-1-3-6-18/h1-7,11,15,24H,8-10,12-14,16-17H2
InChIKeyMQAAPCCTMNMULT-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.19
Rot. Bonds6

About 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641180) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641180
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(CNc1cccnc1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C22H26N4O2/c27-20(16-24-19-7-4-11-23-15-19)26-14-10-22(17-26)9-13-25(21(22)28)12-8-18-5-2-1-3-6-18/h1-7,11,15,24H,8-10,12-14,16-17H2
InChIKeyMQAAPCCTMNMULT-UHFFFAOYSA-N
XLogP2.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-(2-phenylethyl)-7-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176502258
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644842
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472911
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175641180) is 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one is O=C(CNc1cccnc1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1.
What is the InChIKey of 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MQAAPCCTMNMULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20(16-24-19-7-4-11-23-15-19)26-14-10-22(17-26)9-13-25(21(22)28)12-8-18-5-2-1-3-6-18/h1-7,11,15,24H,8-10,12-14,16-17H2.
What are the key properties of 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).