2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide

C26H31N5O3 — CID 5176325

IUPAC2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O)NCCc1ccccn1
InChIInChI=1S/C26H31N5O3/c32-23(28-15-11-21-6-4-5-14-27-21)18-30-19-31(22-7-2-1-3-8-22)26(25(30)34)12-16-29(17-13-26)24(33)20-9-10-20/h1-8,14,20H,9-13,15-19H2,(H,28,32)
InChIKeyHBJXKAAQAWCNIJ-UHFFFAOYSA-N
MW461.57 g/mol
LogP1.82
Rot. Bonds7

About 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 5176325) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID5176325
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O)NCCc1ccccn1
InChIInChI=1S/C26H31N5O3/c32-23(28-15-11-21-6-4-5-14-27-21)18-30-19-31(22-7-2-1-3-8-22)26(25(30)34)12-16-29(17-13-26)24(33)20-9-10-20/h1-8,14,20H,9-13,15-19H2,(H,28,32)
InChIKeyHBJXKAAQAWCNIJ-UHFFFAOYSA-N
XLogP1.82
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 5001522
2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 3612518
2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 5042254
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4132802
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)acetamide
CID 3608716
2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 42766466
N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 3489356
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5135762
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-8-(cyclobutanecarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3543105

Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 5176325) is 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O)NCCc1ccccn1.
What is the InChIKey of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is HBJXKAAQAWCNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c32-23(28-15-11-21-6-4-5-14-27-21)18-30-19-31(22-7-2-1-3-8-22)26(25(30)34)12-16-29(17-13-26)24(33)20-9-10-20/h1-8,14,20H,9-13,15-19H2,(H,28,32).
What are the key properties of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 461.57 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 5176325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).