N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide

C32H36N4O — CID 11620172

IUPACN-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
SMILESNCCCCCN1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)
InChIKeyPZHWVACDFBHKQI-UHFFFAOYSA-N
MW492.67 g/mol
LogP6.01
Rot. Bonds9

About N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide

N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide (PubChem CID 11620172) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
PubChem CID11620172
Molecular FormulaC32H36N4O
Molecular Weight492.67 g/mol
Exact Mass492.29
IUPAC NameN-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
SMILESNCCCCCN1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)
InChIKeyPZHWVACDFBHKQI-UHFFFAOYSA-N
XLogP6.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide (CID 11620172) is N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide is NCCCCCN1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The InChIKey is PZHWVACDFBHKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37).
What are the key properties of N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide has a molecular weight of 492.67 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-aminopentyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11620172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).