2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate

C22H19N2O3- — CID 2051736

IUPAC2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)N1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N2O3/c25-21(19-7-3-4-8-20(19)22(26)27)24-13-11-23(12-14-24)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,26,27)/p-1
InChIKeyDUSRZIKNLMCQLD-UHFFFAOYSA-M
MW359.41 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate

2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate (PubChem CID 2051736) has the molecular formula C22H19N2O3- and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate
PubChem CID2051736
Molecular FormulaC22H19N2O3-
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)N1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N2O3/c25-21(19-7-3-4-8-20(19)22(26)27)24-13-11-23(12-14-24)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,26,27)/p-1
InChIKeyDUSRZIKNLMCQLD-UHFFFAOYSA-M
XLogP2.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
2-(piperazin-4-ium-1-carbonyl)benzoate
CID 7015004
1-anthracen-2-ylaziridine
CID 140967358
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
CID 22399413
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2-bromophenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075509
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 87030057
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate?
The IUPAC name of 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate (CID 2051736) is 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate.
What is the SMILES notation for 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate?
The canonical SMILES for 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate is O=C([O-])c1ccccc1C(=O)N1CCN(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate?
The InChIKey is DUSRZIKNLMCQLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N2O3/c25-21(19-7-3-4-8-20(19)22(26)27)24-13-11-23(12-14-24)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,26,27)/p-1.
What are the key properties of 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate?
2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate has a molecular weight of 359.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylpiperazine-1-carbonyl)benzoate is sourced from PubChem (CID 2051736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).