ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate

C18H20N2O3 — CID 883848

IUPACethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBTEHPZJZQVPQBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.75
Rot. Bonds2

About ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate (PubChem CID 883848) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate
PubChem CID883848
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBTEHPZJZQVPQBJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate (CID 883848) is ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is BTEHPZJZQVPQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(naphthalene-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 883848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).