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

C20H24N4O4 — CID 109174336

IUPACethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-14-15(8-9-21-18)19(25)22-16-6-4-5-7-17(16)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyZCYWIQPNOPZHOE-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.62
Rot. Bonds5

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

ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 109174336) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID109174336
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nameethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1
InChIInChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-14-15(8-9-21-18)19(25)22-16-6-4-5-7-17(16)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyZCYWIQPNOPZHOE-UHFFFAOYSA-N
XLogP2.62
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109170069
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109172337
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168975
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate (CID 109174336) is ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1.
What is the InChIKey of ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ZCYWIQPNOPZHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-28-20(26)24-12-10-23(11-13-24)18-14-15(8-9-21-18)19(25)22-16-6-4-5-7-17(16)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109174336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).