ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate

C21H26N4O3 — CID 109170069

IUPACethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)NC(C)c3ccccc3)ccn2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-15-18(9-10-22-19)20(26)23-16(2)17-7-5-4-6-8-17/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyXVTLHRVDZWSJDF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.85
Rot. Bonds5

About ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 109170069) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID109170069
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nameethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)NC(C)c3ccccc3)ccn2)CC1
InChIInChI=1S/C21H26N4O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-15-18(9-10-22-19)20(26)23-16(2)17-7-5-4-6-8-17/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyXVTLHRVDZWSJDF-UHFFFAOYSA-N
XLogP2.85
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]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-[2-methyl-6-(1-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109369256
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109172337
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate (CID 109170069) is ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C(=O)NC(C)c3ccccc3)ccn2)CC1.
What is the InChIKey of ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is XVTLHRVDZWSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-15-18(9-10-22-19)20(26)23-16(2)17-7-5-4-6-8-17/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109170069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).