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

C17H24N2O3 — CID 119913340

IUPAC2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-13(17(21)22)18(2)12-14-7-6-8-15(11-14)16(20)19-9-4-3-5-10-19/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,21,22)
InChIKeyQRCGXIPSJKCCSE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.22
Rot. Bonds5

About 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid

2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid (PubChem CID 119913340) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
PubChem CID119913340
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-13(17(21)22)18(2)12-14-7-6-8-15(11-14)16(20)19-9-4-3-5-10-19/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,21,22)
InChIKeyQRCGXIPSJKCCSE-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 136524367
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
methyl 2-[[(1S)-1-phenylpropyl]-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]acetate
CID 97025897
[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527668

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid (CID 119913340) is 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid is CC(C(=O)O)N(C)Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
The InChIKey is QRCGXIPSJKCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(17(21)22)18(2)12-14-7-6-8-15(11-14)16(20)19-9-4-3-5-10-19/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid?
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid is sourced from PubChem (CID 119913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).