ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate

C29H33N3O3 — CID 10367510

IUPACethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-3-35-29(34)28(25-15-10-16-30-22(25)2)32-19-17-31(18-20-32)27(33)21-26(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16,26,28H,3,17-21H2,1-2H3
InChIKeyMVMBBKRFSZGQCC-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.36
Rot. Bonds8

About ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate

ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate (PubChem CID 10367510) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate
PubChem CID10367510
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Nameethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-3-35-29(34)28(25-15-10-16-30-22(25)2)32-19-17-31(18-20-32)27(33)21-26(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16,26,28H,3,17-21H2,1-2H3
InChIKeyMVMBBKRFSZGQCC-UHFFFAOYSA-N
XLogP4.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate with MolForge

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Related Compounds

ethyl 2-(4-methylpiperazin-1-yl)-2-(2-methyl-3-pyridinyl)acetate
CID 59570462
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964
1-[4-[(3E)-3-methoxyimino-1-pyridin-2-ylbutan-2-yl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10457442
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
CID 121191045
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate (CID 10367510) is ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate is CCOC(=O)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate?
The InChIKey is MVMBBKRFSZGQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-3-35-29(34)28(25-15-10-16-30-22(25)2)32-19-17-31(18-20-32)27(33)21-26(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16,26,28H,3,17-21H2,1-2H3.
What are the key properties of ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate?
ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate has a molecular weight of 471.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 10367510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).