N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

C27H30N4O2 — CID 127027079

IUPACN-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1
InChIInChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
InChIKeyHSNDKUASWXMOHD-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 127027079) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
PubChem CID127027079
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1
InChIInChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)
InChIKeyHSNDKUASWXMOHD-UHFFFAOYSA-N
XLogP3.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.67
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-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (CID 127027079) is N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is O=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1.
What is the InChIKey of N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is HSNDKUASWXMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32).
What are the key properties of N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-oxo-1,3-dihydroindol-4-yl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 127027079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).