1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid

C20H26N2O5 — CID 119166473

IUPAC1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C20H26N2O5/c23-18(14-27-17-4-2-1-3-5-17)21-10-6-15(7-11-21)19(24)22-12-8-16(9-13-22)20(25)26/h1-5,15-16H,6-14H2,(H,25,26)
InChIKeyZZZYQNFQFXDJPJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid

1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119166473) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID119166473
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C20H26N2O5/c23-18(14-27-17-4-2-1-3-5-17)21-10-6-15(7-11-21)19(24)22-12-8-16(9-13-22)20(25)26/h1-5,15-16H,6-14H2,(H,25,26)
InChIKeyZZZYQNFQFXDJPJ-UHFFFAOYSA-N
XLogP1.63
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-[4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55635325
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid (CID 119166473) is 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is ZZZYQNFQFXDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18(14-27-17-4-2-1-3-5-17)21-10-6-15(7-11-21)19(24)22-12-8-16(9-13-22)20(25)26/h1-5,15-16H,6-14H2,(H,25,26).
What are the key properties of 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid?
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).