(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N2O3 — CID 97145994

IUPAC(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1
InChIInChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m1/s1
InChIKeyRMAOOZMMXDISQR-QGZVFWFLSA-N
MW344.45 g/mol
LogP2.45
Rot. Bonds6

About (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97145994) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97145994
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1
InChIInChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m1/s1
InChIKeyRMAOOZMMXDISQR-QGZVFWFLSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150471
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863911
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
8-[2-(1,3-benzodioxol-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863629
(4S)-1-methyl-2-oxo-8-(5-phenylpentanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188282
1-methyl-2-oxo-8-(5-phenylpentanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72844884
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72842778
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-5-phenylpentan-1-one
CID 95720649

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97145994) is (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(C(=O)CCCCc3ccccc3)CC2)CN1.
What is the InChIKey of (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is RMAOOZMMXDISQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(9-5-4-8-16-6-2-1-3-7-16)22-12-10-20(11-13-22)14-17(19(24)25)21-15-20/h1-3,6-7,17,21H,4-5,8-15H2,(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 344.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97145994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).