3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid

C22H31N3O5 — CID 174517256

IUPAC3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid
SMILESCC(C)c1cccc(C2CCN(C(=O)C3C(C(=O)NO)CCCN3C(=O)O)CC2)c1
InChIInChI=1S/C22H31N3O5/c1-14(2)16-5-3-6-17(13-16)15-8-11-24(12-9-15)21(27)19-18(20(26)23-30)7-4-10-25(19)22(28)29/h3,5-6,13-15,18-19,30H,4,7-12H2,1-2H3,(H,23,26)(H,28,29)
InChIKeyVAFWEPYQXMSZHV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.78
Rot. Bonds4

About 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid

3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid (PubChem CID 174517256) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid
PubChem CID174517256
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid
SMILESCC(C)c1cccc(C2CCN(C(=O)C3C(C(=O)NO)CCCN3C(=O)O)CC2)c1
InChIInChI=1S/C22H31N3O5/c1-14(2)16-5-3-6-17(13-16)15-8-11-24(12-9-15)21(27)19-18(20(26)23-30)7-4-10-25(19)22(28)29/h3,5-6,13-15,18-19,30H,4,7-12H2,1-2H3,(H,23,26)(H,28,29)
InChIKeyVAFWEPYQXMSZHV-UHFFFAOYSA-N
XLogP2.78
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-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

2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
CID 72758726
(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
CID 174517475
7-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid
CID 118536371
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]carbamic acid
CID 90884756
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-propan-2-ylcarbamic acid
CID 91597305
4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-4-methylpiperazin-4-ium-1-carboxylic acid
CID 87999270
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
CID 171152601
6-[4-(3-ethylbenzimidazol-5-yl)piperidine-1-carbonyl]-7-(hydroxycarbamoyl)-5-azaspiro[2.5]octane-5-carboxylic acid
CID 91083381
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid (CID 174517256) is 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid is CC(C)c1cccc(C2CCN(C(=O)C3C(C(=O)NO)CCCN3C(=O)O)CC2)c1.
What is the InChIKey of 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The InChIKey is VAFWEPYQXMSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14(2)16-5-3-6-17(13-16)15-8-11-24(12-9-15)21(27)19-18(20(26)23-30)7-4-10-25(19)22(28)29/h3,5-6,13-15,18-19,30H,4,7-12H2,1-2H3,(H,23,26)(H,28,29).
What are the key properties of 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid?
3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid has a molecular weight of 417.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174517256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).