ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate

C27H28N4O4 — CID 46233357

IUPACethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H28N4O4/c1-2-35-27(34)31-15-13-30(14-16-31)25(32)19-28-26(33)24-18-22(20-9-5-3-6-10-20)17-23(29-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16,19H2,1H3,(H,28,33)
InChIKeyNKCANOGJFILVJL-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.45
Rot. Bonds6

About ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 46233357) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID46233357
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Nameethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H28N4O4/c1-2-35-27(34)31-15-13-30(14-16-31)25(32)19-28-26(33)24-18-22(20-9-5-3-6-10-20)17-23(29-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16,19H2,1H3,(H,28,33)
InChIKeyNKCANOGJFILVJL-UHFFFAOYSA-N
XLogP3.45
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(2R)-3-diethoxyphosphoryl-2-[(4,6-diphenylpyridine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 87200698
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylphenyl)-4-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
CID 66651786
ethyl 4-[3-diethoxyphosphoryl-2-[[4-(4-methoxyphenyl)-6-phenylpyridine-2-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 87211606
2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
CID 22185107
butyl 4-[2-[(6-chloro-2-phenylpyrimidine-4-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 87120265
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 110625495
3-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid
CID 10414325
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(3-hydroxypropoxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
CID 45142449
ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 110305616
4-[(2S)-2-[(2,6-diphenylpyrimidine-4-carbonyl)amino]-3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 67462173

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate (CID 46233357) is ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is NKCANOGJFILVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-2-35-27(34)31-15-13-30(14-16-31)25(32)19-28-26(33)24-18-22(20-9-5-3-6-10-20)17-23(29-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16,19H2,1H3,(H,28,33).
What are the key properties of ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 472.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4,6-diphenylpyridine-2-carbonyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 46233357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).