N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

C24H25N3O2 — CID 25398392

IUPACN-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H25N3O2/c1-18-5-4-8-22(15-18)26-11-13-27(14-12-26)23(28)17-25-24(29)21-10-9-19-6-2-3-7-20(19)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,29)
InChIKeyORUVVAXZASVMGR-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.23
Rot. Bonds4

About N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 25398392) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID25398392
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H25N3O2/c1-18-5-4-8-22(15-18)26-11-13-27(14-12-26)23(28)17-25-24(29)21-10-9-19-6-2-3-7-20(19)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,29)
InChIKeyORUVVAXZASVMGR-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide (CID 25398392) is N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is ORUVVAXZASVMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-5-4-8-22(15-18)26-11-13-27(14-12-26)23(28)17-25-24(29)21-10-9-19-6-2-3-7-20(19)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 25398392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).