2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid

C24H29N3O5 — CID 24747020

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid
SMILESC=CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27N3O.C2H2O4/c1-2-13-23-21(26)18-24-14-16-25(17-15-24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;3-1(4)2(5)6/h2-12,22H,1,13-18H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyAAEINTORHBRERB-UHFFFAOYSA-N
MW439.51 g/mol
LogP1.85
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid

2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid (PubChem CID 24747020) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid
PubChem CID24747020
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid
SMILESC=CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27N3O.C2H2O4/c1-2-13-23-21(26)18-24-14-16-25(17-15-24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;3-1(4)2(5)6/h2-12,22H,1,13-18H2,(H,23,26);(H,3,4)(H,5,6)
InChIKeyAAEINTORHBRERB-UHFFFAOYSA-N
XLogP1.85
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
N-cyclohexyl-2-[(4-fluorophenyl)methylamino]propanamide;oxalic acid
CID 16192831
1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
CID 23724195
(4-Benzhydryl-piperazin-1-yl)-acetic acid
CID 4741586
2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide
CID 6466963
Acetamide, 2-(diethylamino)-N-(diphenylmethyl)-, hydrochloride
CID 3042557
2-(4-Benzhydryl-piperazin-1-yl)-1-morpholin-4-yl-ethanone
CID 644490
2-(4-Benzhydryl-piperazin-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 649238
N-benzyl-2-(4-cinnamylpiperazin-1-yl)acetamide
CID 2355293
1-(2-fluorobenzyl)-N-(2-phenylethyl)-4-piperidinecarboxamide oxalate
CID 2903381
N-benzyl-1-(3-methylbutanoyl)-N-(2-phenylethyl)-4-piperidinamine oxalate
CID 2912084

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid (CID 24747020) is 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid is C=CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid?
The InChIKey is AAEINTORHBRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C2H2O4/c1-2-13-23-21(26)18-24-14-16-25(17-15-24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;3-1(4)2(5)6/h2-12,22H,1,13-18H2,(H,23,26);(H,3,4)(H,5,6).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid?
2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid has a molecular weight of 439.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-prop-2-enylacetamide;oxalic acid is sourced from PubChem (CID 24747020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).