N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide

C27H33N3O2 — CID 11270403

IUPACN-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCCNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C27H33N3O2/c1-32-26-11-7-10-25(21-26)30-18-16-29(17-19-30)15-6-2-5-14-28-27(31)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,28,31)
InChIKeyGXTXOFNWSISIIQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.57
Rot. Bonds9

About N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide

N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide (PubChem CID 11270403) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
PubChem CID11270403
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
SMILESCOc1cccc(N2CCN(CCCCCNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C27H33N3O2/c1-32-26-11-7-10-25(21-26)30-18-16-29(17-19-30)15-6-2-5-14-28-27(31)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,28,31)
InChIKeyGXTXOFNWSISIIQ-UHFFFAOYSA-N
XLogP4.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 174673242
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]naphthalene-2-carboxamide
CID 44532093
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide (CID 11270403) is N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide is COc1cccc(N2CCN(CCCCCNC(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide?
The InChIKey is GXTXOFNWSISIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-32-26-11-7-10-25(21-26)30-18-16-29(17-19-30)15-6-2-5-14-28-27(31)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,28,31).
What are the key properties of N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide?
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11270403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).