3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid

C22H34N2O2 — CID 67844695

IUPAC3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid
SMILESCN(Cc1ccc(C2CCNCC2)cc1)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C22H34N2O2/c1-24(21-9-4-17(5-10-21)6-11-22(25)26)16-18-2-7-19(8-3-18)20-12-14-23-15-13-20/h2-3,7-8,17,20-21,23H,4-6,9-16H2,1H3,(H,25,26)
InChIKeyWSDHLQPZKYHRJW-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.01
Rot. Bonds7

About 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid

3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid (PubChem CID 67844695) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid
PubChem CID67844695
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid
SMILESCN(Cc1ccc(C2CCNCC2)cc1)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C22H34N2O2/c1-24(21-9-4-17(5-10-21)6-11-22(25)26)16-18-2-7-19(8-3-18)20-12-14-23-15-13-20/h2-3,7-8,17,20-21,23H,4-6,9-16H2,1H3,(H,25,26)
InChIKeyWSDHLQPZKYHRJW-UHFFFAOYSA-N
XLogP4.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[methyl-(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid;hydrochloride
CID 67844628
3-[4-[2-phenylethyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid;dihydrochloride
CID 67844764
3-[4-[(4-piperidin-4-ylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 67844676
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
3-[4-[(2-chloro-4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844587
methyl 3-[4-[(4-piperidin-4-ylphenyl)methoxy]cyclohexyl]propanoate;hydrochloride
CID 67844901
4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 162320041
methyl 3-[4-(N-methyl-4-piperidin-4-ylanilino)phenyl]propanoate
CID 67844835
3-[4-[(4-piperazin-1-ylphenyl)methylamino]cyclohexyl]propanoic acid;dihydrochloride
CID 67844766
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid (CID 67844695) is 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid is CN(Cc1ccc(C2CCNCC2)cc1)C1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid?
The InChIKey is WSDHLQPZKYHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-24(21-9-4-17(5-10-21)6-11-22(25)26)16-18-2-7-19(8-3-18)20-12-14-23-15-13-20/h2-3,7-8,17,20-21,23H,4-6,9-16H2,1H3,(H,25,26).
What are the key properties of 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid?
3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid has a molecular weight of 358.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl-[(4-piperidin-4-ylphenyl)methyl]amino]cyclohexyl]propanoic acid is sourced from PubChem (CID 67844695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).