1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid

C22H26N2O4 — CID 154869321

IUPAC1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C22H26N2O4/c25-20(24-13-7-12-22(28,17-24)21(26)27)16-23(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,28H,7,12-17H2,(H,26,27)
InChIKeyAHZGJHFTDHWIQX-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid

1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 154869321) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
PubChem CID154869321
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C22H26N2O4/c25-20(24-13-7-12-22(28,17-24)21(26)27)16-23(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,28H,7,12-17H2,(H,26,27)
InChIKeyAHZGJHFTDHWIQX-UHFFFAOYSA-N
XLogP2.13
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 78840764
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
(6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122352
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid (CID 154869321) is 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid is O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is AHZGJHFTDHWIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-20(24-13-7-12-22(28,17-24)21(26)27)16-23(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,28H,7,12-17H2,(H,26,27).
What are the key properties of 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid?
1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 154869321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).