3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid

C16H22N2O3 — CID 62231414

IUPAC3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-17(15(19)11-16(20)21)12-13-5-7-14(8-6-13)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyAINPNFGAXLWKJN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

About 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid

3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid (PubChem CID 62231414) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
PubChem CID62231414
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-17(15(19)11-16(20)21)12-13-5-7-14(8-6-13)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyAINPNFGAXLWKJN-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
CID 39490122
3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 47040746
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
3,5-dimethyl-N-[2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551977
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-[[ethylamino-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111414530
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid?
The IUPAC name of 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid (CID 62231414) is 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(=O)O.
What is the InChIKey of 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid?
The InChIKey is AINPNFGAXLWKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(15(19)11-16(20)21)12-13-5-7-14(8-6-13)18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,21).
What are the key properties of 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid?
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 62231414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).