phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate

C20H21N3O4 — CID 110803551

IUPACphenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
SMILESO=C(NCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O4/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)27-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25)
InChIKeyFRSJKROHKVLMBZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.76
Rot. Bonds4

About phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate

phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate (PubChem CID 110803551) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
PubChem CID110803551
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Namephenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
SMILESO=C(NCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3O4/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)27-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25)
InChIKeyFRSJKROHKVLMBZ-UHFFFAOYSA-N
XLogP1.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567480
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 108534238
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate (CID 110803551) is phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate is O=C(NCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate?
The InChIKey is FRSJKROHKVLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18(15-21-19(25)16-7-3-1-4-8-16)22-11-13-23(14-12-22)20(26)27-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25).
What are the key properties of phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate?
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).