1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid

C18H24N2O4 — CID 119166509

IUPAC1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-2-4-14(5-3-13)6-7-16(21)19-12-17(22)20-10-8-15(9-11-20)18(23)24/h2-5,15H,6-12H2,1H3,(H,19,21)(H,23,24)
InChIKeyRZSQRENIWJXYLU-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119166509) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119166509
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-2-4-14(5-3-13)6-7-16(21)19-12-17(22)20-10-8-15(9-11-20)18(23)24/h2-5,15H,6-12H2,1H3,(H,19,21)(H,23,24)
InChIKeyRZSQRENIWJXYLU-UHFFFAOYSA-N
XLogP1.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
6-[2-[3-(4-methylphenyl)propanoylamino]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175164
6-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122113753
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119540335
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119379387
(2R,3R)-2-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122115743
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120657952
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid (CID 119166509) is 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid is Cc1ccc(CCC(=O)NCC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is RZSQRENIWJXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-2-4-14(5-3-13)6-7-16(21)19-12-17(22)20-10-8-15(9-11-20)18(23)24/h2-5,15H,6-12H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).