N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide

C26H31N3O2 — CID 11647384

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-27-26(30)23-12-8-10-21-9-2-3-11-22(21)23/h2-5,8-14H,6-7,15-20H2,1H3,(H,27,30)
InChIKeyCUKQTCOUHQWBHN-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.18
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide (PubChem CID 11647384) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide
PubChem CID11647384
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-27-26(30)23-12-8-10-21-9-2-3-11-22(21)23/h2-5,8-14H,6-7,15-20H2,1H3,(H,27,30)
InChIKeyCUKQTCOUHQWBHN-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide (CID 11647384) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide?
The InChIKey is CUKQTCOUHQWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-27-26(30)23-12-8-10-21-9-2-3-11-22(21)23/h2-5,8-14H,6-7,15-20H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11647384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).