N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide

C22H23N3O — CID 925699

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-10-8-20(9-11-21)23-22(26)19-7-6-17-4-2-3-5-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyWNSYZUCOWVUFAM-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 925699) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
PubChem CID925699
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-10-8-20(9-11-21)23-22(26)19-7-6-17-4-2-3-5-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyWNSYZUCOWVUFAM-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide (CID 925699) is N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is WNSYZUCOWVUFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24-12-14-25(15-13-24)21-10-8-20(9-11-21)23-22(26)19-7-6-17-4-2-3-5-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 925699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).