2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid

C15H20N2O3 — CID 136550153

IUPAC2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
SMILESCC(=O)NC1CCCN(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-13-8-5-9-17(10-13)14(15(19)20)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyVWESDJIPHSOQIS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid

2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid (PubChem CID 136550153) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
PubChem CID136550153
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
SMILESCC(=O)NC1CCCN(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-13-8-5-9-17(10-13)14(15(19)20)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyVWESDJIPHSOQIS-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
CID 124929955
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid (CID 136550153) is 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid is CC(=O)NC1CCCN(C(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid?
The InChIKey is VWESDJIPHSOQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)16-13-8-5-9-17(10-13)14(15(19)20)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid?
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 136550153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).