acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

C20H23N3O5 — CID 70074391

IUPACacetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
SMILESCC(=O)O.O=C(O)C1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C18H19N3O3.C2H4O2/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2(3)4/h1-10,16,19H,11-13H2,(H,22,23);1H3,(H,3,4)
InChIKeyQDZYEUUSTWNGCC-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.39
Rot. Bonds3

About acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid (PubChem CID 70074391) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
PubChem CID70074391
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameacetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
SMILESCC(=O)O.O=C(O)C1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C18H19N3O3.C2H4O2/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2(3)4/h1-10,16,19H,11-13H2,(H,22,23);1H3,(H,3,4)
InChIKeyQDZYEUUSTWNGCC-UHFFFAOYSA-N
XLogP2.39
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 54011056
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
CID 91660515
(3S)-piperazine-1,3-dicarboxylic acid
CID 68637111
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
CID 70061354
2,5-dimethyl-1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
CID 18965184
4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
CID 56871850
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 56880977
4-(2-hydroxyphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 14302847
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The IUPAC name of acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid (CID 70074391) is acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The canonical SMILES for acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid is CC(=O)O.O=C(O)C1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
The InChIKey is QDZYEUUSTWNGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.C2H4O2/c22-17(23)16-13-20(12-11-19-16)18(24)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2(3)4/h1-10,16,19H,11-13H2,(H,22,23);1H3,(H,3,4).
What are the key properties of acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid?
acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 70074391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).