1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide

C29H39N5O2 — CID 123619194

IUPAC1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide
SMILESCNC(=O)CCCCCC(CNC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C29H39N5O2/c1-30-27(35)11-5-3-4-10-25(19-32-29(36)22-14-16-34(2)17-15-22)28-31-20-26(33-28)24-13-12-21-8-6-7-9-23(21)18-24/h6-9,12-13,18,20,22,25H,3-5,10-11,14-17,19H2,1-2H3,(H,30,35)(H,31,33)(H,32,36)
InChIKeyAOYUXQPCUQKERC-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.47
Rot. Bonds11

About 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide

1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide (PubChem CID 123619194) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide
PubChem CID123619194
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC Name1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide
SMILESCNC(=O)CCCCCC(CNC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C29H39N5O2/c1-30-27(35)11-5-3-4-10-25(19-32-29(36)22-14-16-34(2)17-15-22)28-31-20-26(33-28)24-13-12-21-8-6-7-9-23(21)18-24/h6-9,12-13,18,20,22,25H,3-5,10-11,14-17,19H2,1-2H3,(H,30,35)(H,31,33)(H,32,36)
InChIKeyAOYUXQPCUQKERC-UHFFFAOYSA-N
XLogP4.47
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.47
H-Bond Donors ≤ 53
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 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide (CID 123619194) is 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide is CNC(=O)CCCCCC(CNC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide?
The InChIKey is AOYUXQPCUQKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-30-27(35)11-5-3-4-10-25(19-32-29(36)22-14-16-34(2)17-15-22)28-31-20-26(33-28)24-13-12-21-8-6-7-9-23(21)18-24/h6-9,12-13,18,20,22,25H,3-5,10-11,14-17,19H2,1-2H3,(H,30,35)(H,31,33)(H,32,36).
What are the key properties of 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide?
1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide has a molecular weight of 489.66 g/mol, XLogP of 4.47, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide is sourced from PubChem (CID 123619194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).