8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid

C19H25N3O3 — CID 91290066

IUPAC8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)C2(CC2)C1
InChIInChI=1S/C19H25N3O3/c23-17(16-6-9-22(18(24)25)14-19(16)7-8-19)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25)
InChIKeyLQZXSUBWZQIDFZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.12
Rot. Bonds2

About 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid

8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid (PubChem CID 91290066) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid.

Molecular Properties

Compound Name8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid
PubChem CID91290066
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)C2(CC2)C1
InChIInChI=1S/C19H25N3O3/c23-17(16-6-9-22(18(24)25)14-19(16)7-8-19)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25)
InChIKeyLQZXSUBWZQIDFZ-UHFFFAOYSA-N
XLogP2.12
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[6-[(2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 126465552
[6-(4-morpholin-4-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 45173328
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
(1R,2S,3R,4S)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11895017
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
(1R,2R,3S,4R)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716964
(1S,2R,3R,4S)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98266915
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid?
The IUPAC name of 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid (CID 91290066) is 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid.
What is the SMILES notation for 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid?
The canonical SMILES for 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid is O=C(O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)C2(CC2)C1.
What is the InChIKey of 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid?
The InChIKey is LQZXSUBWZQIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(16-6-9-22(18(24)25)14-19(16)7-8-19)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25).
What are the key properties of 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid?
8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid is sourced from PubChem (CID 91290066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).