4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid

C19H27N3O3 — CID 70922477

IUPAC4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid
SMILESNC(=O)Cc1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c20-18(23)13-14-1-3-17(4-2-14)21-9-5-15(6-10-21)16-7-11-22(12-8-16)19(24)25/h1-4,15-16H,5-13H2,(H2,20,23)(H,24,25)
InChIKeyNFJNIMVELRDYOD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.32
Rot. Bonds4

About 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid

4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid (PubChem CID 70922477) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid
PubChem CID70922477
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid
SMILESNC(=O)Cc1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c20-18(23)13-14-1-3-17(4-2-14)21-9-5-15(6-10-21)16-7-11-22(12-8-16)19(24)25/h1-4,15-16H,5-13H2,(H2,20,23)(H,24,25)
InChIKeyNFJNIMVELRDYOD-UHFFFAOYSA-N
XLogP2.32
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic 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

4-[1-[4-(3-amino-3-sulfanylidenepropyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid
CID 89103966
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
CID 110675153
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
2-[1-(4-aminophenyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 90105202
4-[4-(2-hydroxyethyl)phenyl]-1,4-diazepane-1-carboxylic acid
CID 90897710
2-(4-pyrrol-1-ylphenyl)acetamide
CID 47168980
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
4-[(E)-N'-(2-phenylacetyl)oxycarbamimidoyl]piperidine-1-carboxylic acid
CID 87869789
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenyl)ethanone
CID 43620094
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
CID 83820204

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid (CID 70922477) is 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid is NC(=O)Cc1ccc(N2CCC(C3CCN(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is NFJNIMVELRDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-18(23)13-14-1-3-17(4-2-14)21-9-5-15(6-10-21)16-7-11-22(12-8-16)19(24)25/h1-4,15-16H,5-13H2,(H2,20,23)(H,24,25).
What are the key properties of 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid?
4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-amino-2-oxoethyl)phenyl]piperidin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 70922477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).