3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid

C17H24N2O3 — CID 119911984

IUPAC3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-18(11-8-16(20)21)13-14-6-5-7-15(12-14)17(22)19-9-3-2-4-10-19/h5-7,12H,2-4,8-11,13H2,1H3,(H,20,21)
InChIKeyKCBOQVLLFWGSKB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.22
Rot. Bonds6

About 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid

3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid (PubChem CID 119911984) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
PubChem CID119911984
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-18(11-8-16(20)21)13-14-6-5-7-15(12-14)17(22)19-9-3-2-4-10-19/h5-7,12H,2-4,8-11,13H2,1H3,(H,20,21)
InChIKeyKCBOQVLLFWGSKB-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 136524367
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid (CID 119911984) is 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid is CN(CCC(=O)O)Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The InChIKey is KCBOQVLLFWGSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(11-8-16(20)21)13-14-6-5-7-15(12-14)17(22)19-9-3-2-4-10-19/h5-7,12H,2-4,8-11,13H2,1H3,(H,20,21).
What are the key properties of 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid is sourced from PubChem (CID 119911984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).