3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid

C23H32N2O5 — CID 142001449

IUPAC3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H32N2O5/c26-21(16-18-4-2-1-3-5-18)24-19-12-14-25(15-13-19)23(29)30-20-9-6-17(7-10-20)8-11-22(27)28/h6-7,9-10,18-19H,1-5,8,11-16H2,(H,24,26)(H,27,28)
InChIKeyADSXDMVJOGKEQW-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.75
Rot. Bonds7

About 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid

3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid (PubChem CID 142001449) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid
PubChem CID142001449
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H32N2O5/c26-21(16-18-4-2-1-3-5-18)24-19-12-14-25(15-13-19)23(29)30-20-9-6-17(7-10-20)8-11-22(27)28/h6-7,9-10,18-19H,1-5,8,11-16H2,(H,24,26)(H,27,28)
InChIKeyADSXDMVJOGKEQW-UHFFFAOYSA-N
XLogP3.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid with MolForge

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Related Compounds

phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
CID 142651449
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
[4-[(2-cyclohexylacetyl)amino]phenyl] 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 57473679
[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
CID 79337661
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
CID 67802338
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid?
The IUPAC name of 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid (CID 142001449) is 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid is O=C(O)CCc1ccc(OC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)cc1.
What is the InChIKey of 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid?
The InChIKey is ADSXDMVJOGKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c26-21(16-18-4-2-1-3-5-18)24-19-12-14-25(15-13-19)23(29)30-20-9-6-17(7-10-20)8-11-22(27)28/h6-7,9-10,18-19H,1-5,8,11-16H2,(H,24,26)(H,27,28).
What are the key properties of 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid?
3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid has a molecular weight of 416.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid is sourced from PubChem (CID 142001449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).