N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid

C21H23ClN2O6 — CID 71374350

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
SMILESO=C(CN1CCCCC1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21ClN2O2.C2H2O4/c20-15-4-8-17(9-5-15)24-18-10-6-16(7-11-18)21-19(23)14-22-12-2-1-3-13-22;3-1(4)2(5)6/h4-11H,1-3,12-14H2,(H,21,23);(H,3,4)(H,5,6)
InChIKeyAWXLSJNPCAGIQM-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid

N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid (PubChem CID 71374350) has the molecular formula C21H23ClN2O6 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
PubChem CID71374350
Molecular FormulaC21H23ClN2O6
Molecular Weight434.88 g/mol
Exact Mass434.12
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
SMILESO=C(CN1CCCCC1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21ClN2O2.C2H2O4/c20-15-4-8-17(9-5-15)24-18-10-6-16(7-11-18)21-19(23)14-22-12-2-1-3-13-22;3-1(4)2(5)6/h4-11H,1-3,12-14H2,(H,21,23);(H,3,4)(H,5,6)
InChIKeyAWXLSJNPCAGIQM-UHFFFAOYSA-N
XLogP3.71
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid (CID 71374350) is N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid is O=C(CN1CCCCC1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The InChIKey is AWXLSJNPCAGIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.C2H2O4/c20-15-4-8-17(9-5-15)24-18-10-6-16(7-11-18)21-19(23)14-22-12-2-1-3-13-22;3-1(4)2(5)6/h4-11H,1-3,12-14H2,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid has a molecular weight of 434.88 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid is sourced from PubChem (CID 71374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).