1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid

C20H23N3O3 — CID 118521870

IUPAC1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1ccccn1)Nc1cccc(CN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H23N3O3/c24-19(13-17-5-1-2-9-21-17)22-18-6-3-4-15(12-18)14-23-10-7-16(8-11-23)20(25)26/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,22,24)(H,25,26)
InChIKeyHUPFIEPSGSOJJO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.56
Rot. Bonds6

About 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid

1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 118521870) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID118521870
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1ccccn1)Nc1cccc(CN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H23N3O3/c24-19(13-17-5-1-2-9-21-17)22-18-6-3-4-15(12-18)14-23-10-7-16(8-11-23)20(25)26/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,22,24)(H,25,26)
InChIKeyHUPFIEPSGSOJJO-UHFFFAOYSA-N
XLogP2.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 118521952
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
CID 155674312
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907619
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-imidazo[1,5-a]pyridin-7-ylacetamide
CID 167931531
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid (CID 118521870) is 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid is O=C(Cc1ccccn1)Nc1cccc(CN2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is HUPFIEPSGSOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(13-17-5-1-2-9-21-17)22-18-6-3-4-15(12-18)14-23-10-7-16(8-11-23)20(25)26/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,22,24)(H,25,26).
What are the key properties of 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-pyridin-2-ylacetyl)amino]phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 118521870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).