N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

C23H23N3O3 — CID 24818099

IUPACN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O3/c27-21-8-4-3-7-20(21)25-11-13-26(14-12-25)22(28)16-24-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,27H,11-14,16H2,(H,24,29)
InChIKeyIPMXSCDSDBCFQB-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.62
Rot. Bonds4

About N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 24818099) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID24818099
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O3/c27-21-8-4-3-7-20(21)25-11-13-26(14-12-25)22(28)16-24-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,27H,11-14,16H2,(H,24,29)
InChIKeyIPMXSCDSDBCFQB-UHFFFAOYSA-N
XLogP2.62
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (CID 24818099) is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is IPMXSCDSDBCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21-8-4-3-7-20(21)25-11-13-26(14-12-25)22(28)16-24-23(29)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,27H,11-14,16H2,(H,24,29).
What are the key properties of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24818099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).