N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide

C16H19N3O — CID 567122

IUPACN-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide
SMILESCN1CCN(NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N3O/c1-18-9-11-19(12-10-18)17-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeyZQNQFDFSALNULY-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.73
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide

N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide (PubChem CID 567122) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide
PubChem CID567122
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide
SMILESCN1CCN(NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N3O/c1-18-9-11-19(12-10-18)17-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeyZQNQFDFSALNULY-UHFFFAOYSA-N
XLogP1.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide (CID 567122) is N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide is CN1CCN(NC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide?
The InChIKey is ZQNQFDFSALNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-9-11-19(12-10-18)17-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20).
What are the key properties of N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide?
N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 567122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).