4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid

C18H26N2O5 — CID 122022013

IUPAC4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
SMILESCOc1ccc(C(O)C2CCN(C(=O)NCCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5/c1-25-15-6-4-13(5-7-15)17(23)14-8-11-20(12-9-14)18(24)19-10-2-3-16(21)22/h4-7,14,17,23H,2-3,8-12H2,1H3,(H,19,24)(H,21,22)
InChIKeyAEMORTMCOCFCFT-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.02
Rot. Bonds7

About 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid

4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122022013) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122022013
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
SMILESCOc1ccc(C(O)C2CCN(C(=O)NCCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5/c1-25-15-6-4-13(5-7-15)17(23)14-8-11-20(12-9-14)18(24)19-10-2-3-16(21)22/h4-7,14,17,23H,2-3,8-12H2,1H3,(H,19,24)(H,21,22)
InChIKeyAEMORTMCOCFCFT-UHFFFAOYSA-N
XLogP2.02
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]butanoic acid
CID 122022714
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
4-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 111507660
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
4-[[4-[cyclohexyl(hydroxy)methyl]benzoyl]amino]butanoic acid
CID 174507866
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid (CID 122022013) is 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid is COc1ccc(C(O)C2CCN(C(=O)NCCCC(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is AEMORTMCOCFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-25-15-6-4-13(5-7-15)17(23)14-8-11-20(12-9-14)18(24)19-10-2-3-16(21)22/h4-7,14,17,23H,2-3,8-12H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid?
4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 350.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122022013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).